REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3g5a_1_F DATA FIRST_RESID -3 DATA SEQUENCE GAMVMRLGDA AELCYNLTSS YLQIAAESDS IIAQTQRAIN TTKSILINET DATA SEQUENCE FPKWSPLNGE ISFSYNGGKD CQVLLLLYLS CLWEYYIVKL SXXXXXXXXX DATA SEQUENCE XXPLTKLPTV FIDHDDTFKT LENFIEETSL RYSLSLYESD RDKCETMAEA DATA SEQUENCE FETFLQVFPE TKAIVIGIRH TDPFGEHLKP IQKTDANWPD FYRLQPLLHW DATA SEQUENCE NLANIWSFLL YSNEPICELY RYGFTSLGNV EETLPNPHLR KDKNSTPLKL DATA SEQUENCE NFEWEIENRY KHNEVTKAEP IPIADEDLVK IENLHEDYYP GWYLVDDKLE DATA SEQUENCE RAGRIKKK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -3 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 -3 G HA3 0.000 3.945 3.960 -0.025 0.000 0.244 -3 G C 0.000 174.882 174.900 -0.030 0.000 0.946 -3 G CA 0.000 45.082 45.100 -0.031 0.000 0.502 -2 A N -0.733 122.073 122.820 -0.023 0.000 2.067 -2 A HA 0.356 4.661 4.320 -0.025 0.000 0.219 -2 A C 1.151 178.720 177.584 -0.025 0.000 1.158 -2 A CA 1.221 53.245 52.037 -0.021 0.000 0.661 -2 A CB -0.318 18.672 19.000 -0.015 0.000 0.801 -2 A HN 0.477 8.627 8.150 -0.000 0.000 0.452 -1 M N -0.792 118.791 119.600 -0.028 0.000 2.535 -1 M HA 0.342 4.806 4.480 -0.025 0.000 0.314 -1 M C -0.345 175.929 176.300 -0.043 0.000 1.153 -1 M CA -0.673 54.608 55.300 -0.031 0.000 0.924 -1 M CB 1.613 34.200 32.600 -0.023 0.000 1.710 -1 M HN -0.061 8.229 8.290 -0.000 0.000 0.451 0 V N 3.518 123.403 119.914 -0.049 0.000 2.763 0 V HA 0.084 4.189 4.120 -0.025 0.000 0.306 0 V C 0.499 176.560 176.094 -0.055 0.000 1.059 0 V CA 0.030 62.291 62.300 -0.065 0.000 1.138 0 V CB 0.635 32.415 31.823 -0.073 0.000 0.940 0 V HN 0.858 9.048 8.190 -0.000 0.000 0.489 1 M N 6.528 126.088 119.600 -0.067 0.000 2.255 1 M HA 0.082 4.547 4.480 -0.025 0.000 0.356 1 M C 0.600 176.880 176.300 -0.032 0.000 1.338 1 M CA 0.829 56.099 55.300 -0.050 0.000 0.962 1 M CB -0.008 32.556 32.600 -0.059 0.000 1.877 1 M HN 0.645 8.935 8.290 -0.000 0.000 0.463 2 R N 1.519 122.010 120.500 -0.014 0.000 2.615 2 R HA 0.101 4.426 4.340 -0.025 0.000 0.270 2 R C 1.139 177.447 176.300 0.015 0.000 1.081 2 R CA -0.803 55.297 56.100 0.001 0.000 1.154 2 R CB 0.382 30.689 30.300 0.012 0.000 1.063 2 R HN 0.598 8.868 8.270 -0.000 0.000 0.519 3 L N 2.215 123.452 121.223 0.024 0.000 2.021 3 L HA -0.160 4.165 4.340 -0.025 0.000 0.215 3 L C 2.031 178.947 176.870 0.076 0.000 1.074 3 L CA 2.564 57.429 54.840 0.042 0.000 0.760 3 L CB -1.085 40.996 42.059 0.037 0.000 0.889 3 L HN 0.905 9.135 8.230 -0.000 0.000 0.433 4 G N -1.085 107.777 108.800 0.103 0.000 2.469 4 G HA2 -0.319 3.626 3.960 -0.025 0.000 0.219 4 G HA3 -0.319 3.626 3.960 -0.025 0.000 0.219 4 G C 1.301 176.247 174.900 0.077 0.000 1.150 4 G CA 0.999 46.214 45.100 0.192 0.000 0.763 4 G HN 0.493 8.783 8.290 -0.000 0.000 0.561 5 D N 1.046 121.455 120.400 0.015 0.000 2.097 5 D HA -0.062 4.563 4.640 -0.025 0.000 0.195 5 D C 2.877 179.131 176.300 -0.076 0.000 0.989 5 D CA 1.310 55.278 54.000 -0.054 0.000 0.827 5 D CB -0.554 40.228 40.800 -0.030 0.000 0.966 5 D HN 0.320 8.690 8.370 -0.000 0.000 0.456 6 A N 1.362 124.172 122.820 -0.016 0.000 1.883 6 A HA -0.097 4.208 4.320 -0.025 0.000 0.217 6 A C 2.363 179.945 177.584 -0.003 0.000 1.186 6 A CA 2.513 54.563 52.037 0.020 0.000 0.624 6 A CB -0.789 18.263 19.000 0.087 0.000 0.822 6 A HN 0.252 8.402 8.150 -0.000 0.000 0.444 7 A N -0.559 122.270 122.820 0.015 0.000 1.902 7 A HA -0.177 4.128 4.320 -0.025 0.000 0.217 7 A C 2.038 179.530 177.584 -0.153 0.000 1.181 7 A CA 1.841 53.917 52.037 0.065 0.000 0.623 7 A CB -0.555 18.605 19.000 0.266 0.000 0.818 7 A HN 0.686 8.836 8.150 -0.000 0.000 0.443 8 E N -0.528 119.307 120.200 -0.609 0.000 2.077 8 E HA -0.212 4.123 4.350 -0.025 0.000 0.193 8 E C 1.921 178.244 176.600 -0.462 0.000 0.989 8 E CA 1.376 57.057 56.400 -1.198 0.000 0.800 8 E CB -0.221 28.629 29.700 -1.417 0.000 0.746 8 E HN 0.455 8.815 8.360 -0.000 0.000 0.452 9 L N 0.879 121.958 121.223 -0.239 0.000 2.012 9 L HA -0.214 4.110 4.340 -0.025 0.000 0.210 9 L C 2.298 179.107 176.870 -0.101 0.000 1.073 9 L CA 1.913 56.697 54.840 -0.093 0.000 0.748 9 L CB -0.897 41.151 42.059 -0.018 0.000 0.891 9 L HN 0.316 8.546 8.230 -0.000 0.000 0.431 10 C N -1.245 118.028 119.300 -0.045 0.000 2.429 10 C HA -0.181 4.264 4.460 -0.025 0.000 0.277 10 C C 2.574 177.593 174.990 0.048 0.000 1.262 10 C CA 0.842 59.868 59.018 0.015 0.000 1.733 10 C CB -1.305 26.473 27.740 0.063 0.000 2.010 10 C HN 0.732 8.962 8.230 -0.000 0.000 0.483 11 Y N 2.809 123.073 120.300 -0.059 0.000 2.128 11 Y HA -0.195 4.341 4.550 -0.024 0.000 0.284 11 Y C 2.305 178.201 175.900 -0.006 0.000 1.154 11 Y CA 2.037 60.142 58.100 0.009 0.000 1.149 11 Y CB -0.565 37.909 38.460 0.023 0.000 0.976 11 Y HN 0.316 8.596 8.280 -0.000 0.000 0.505 12 N N 0.509 119.129 118.700 -0.133 0.000 2.188 12 N HA -0.135 4.590 4.740 -0.025 0.000 0.184 12 N C 1.845 177.163 175.510 -0.320 0.000 1.018 12 N CA 1.699 54.651 53.050 -0.164 0.000 0.858 12 N CB -0.668 37.830 38.487 0.019 0.000 0.989 12 N HN 0.576 8.956 8.380 -0.000 0.000 0.426 13 L N -0.368 120.528 121.223 -0.546 0.000 2.156 13 L HA 0.120 4.445 4.340 -0.025 0.000 0.208 13 L C 1.892 178.728 176.870 -0.056 0.000 1.095 13 L CA 1.538 55.955 54.840 -0.705 0.000 0.770 13 L CB -1.332 40.248 42.059 -0.798 0.000 0.914 13 L HN -0.122 8.108 8.230 -0.000 0.000 0.439 14 T N -0.293 114.285 114.554 0.040 0.000 2.777 14 T HA -0.109 4.226 4.350 -0.025 0.000 0.266 14 T C 1.984 176.752 174.700 0.112 0.000 1.040 14 T CA 1.690 63.921 62.100 0.219 0.000 1.141 14 T CB -0.377 68.593 68.868 0.170 0.000 0.868 14 T HN 0.485 8.725 8.240 -0.000 0.000 0.444 15 S N 1.125 116.766 115.700 -0.099 0.000 2.399 15 S HA -0.099 4.356 4.470 -0.025 0.000 0.231 15 S C 2.356 176.982 174.600 0.044 0.000 1.022 15 S CA 1.114 59.250 58.200 -0.106 0.000 0.983 15 S CB -0.412 62.606 63.200 -0.304 0.000 0.803 15 S HN 0.510 8.820 8.310 -0.000 0.000 0.480 16 S N 0.187 115.956 115.700 0.115 0.000 2.355 16 S HA -0.126 4.329 4.470 -0.025 0.000 0.222 16 S C 1.693 176.418 174.600 0.207 0.000 1.031 16 S CA 0.962 59.312 58.200 0.250 0.000 0.993 16 S CB -0.533 62.946 63.200 0.465 0.000 0.859 16 S HN 0.607 8.917 8.310 -0.000 0.000 0.453 17 Y N 1.907 122.252 120.300 0.075 0.000 2.128 17 Y HA -0.058 4.476 4.550 -0.027 0.000 0.284 17 Y C 1.989 177.851 175.900 -0.064 0.000 1.154 17 Y CA 1.878 59.881 58.100 -0.161 0.000 1.149 17 Y CB -0.325 38.156 38.460 0.034 0.000 0.976 17 Y HN 0.243 8.523 8.280 -0.000 0.000 0.505 18 L N -0.110 121.231 121.223 0.198 0.000 2.261 18 L HA -0.267 4.058 4.340 -0.025 0.000 0.216 18 L C 2.002 178.872 176.870 -0.001 0.000 1.114 18 L CA 1.393 56.291 54.840 0.098 0.000 0.777 18 L CB -0.475 41.642 42.059 0.095 0.000 0.910 18 L HN 0.357 8.587 8.230 -0.000 0.000 0.440 19 Q N -0.341 119.458 119.800 -0.003 0.000 2.425 19 Q HA 0.135 4.460 4.340 -0.025 0.000 0.204 19 Q C 0.388 176.353 176.000 -0.059 0.000 0.933 19 Q CA -0.092 55.706 55.803 -0.007 0.000 0.939 19 Q CB 0.306 29.070 28.738 0.043 0.000 1.044 19 Q HN 0.471 8.741 8.270 -0.000 0.000 0.513 20 I N 1.705 122.179 120.570 -0.159 0.000 2.668 20 I HA -0.053 4.102 4.170 -0.025 0.000 0.285 20 I C 0.268 176.243 176.117 -0.237 0.000 1.168 20 I CA -0.422 60.727 61.300 -0.251 0.000 1.424 20 I CB 0.577 38.267 38.000 -0.516 0.000 1.377 20 I HN 0.044 8.254 8.210 -0.000 0.000 0.560 21 A N 6.481 129.176 122.820 -0.207 0.000 2.395 21 A HA 0.641 4.946 4.320 -0.025 0.000 0.286 21 A C 0.163 177.601 177.584 -0.243 0.000 1.193 21 A CA -0.116 51.815 52.037 -0.176 0.000 0.852 21 A CB -0.121 18.804 19.000 -0.126 0.000 1.118 21 A HN 0.852 9.002 8.150 -0.000 0.000 0.524 22 A N 3.148 125.846 122.820 -0.203 0.000 2.486 22 A HA 0.659 4.964 4.320 -0.025 0.000 0.300 22 A C -0.350 177.151 177.584 -0.138 0.000 1.048 22 A CA -0.709 51.203 52.037 -0.208 0.000 0.696 22 A CB 0.820 19.677 19.000 -0.237 0.000 1.278 22 A HN 0.705 8.855 8.150 -0.000 0.000 0.405 23 E N 0.975 121.101 120.200 -0.123 0.000 2.398 23 E HA 0.084 4.419 4.350 -0.025 0.000 0.263 23 E C 1.477 178.031 176.600 -0.077 0.000 1.046 23 E CA 0.723 57.070 56.400 -0.088 0.000 0.908 23 E CB 1.189 30.842 29.700 -0.078 0.000 0.963 23 E HN 0.800 9.160 8.360 -0.000 0.000 0.431 24 S N 1.638 117.301 115.700 -0.061 0.000 2.442 24 S HA -0.183 4.272 4.470 -0.025 0.000 0.236 24 S C 0.744 175.316 174.600 -0.048 0.000 1.007 24 S CA 1.506 59.675 58.200 -0.053 0.000 0.965 24 S CB -0.064 63.110 63.200 -0.044 0.000 0.773 24 S HN 0.479 8.789 8.310 -0.000 0.000 0.504 25 D N 1.479 121.851 120.400 -0.046 0.000 2.368 25 D HA 0.182 4.807 4.640 -0.025 0.000 0.218 25 D C 0.797 177.073 176.300 -0.040 0.000 1.112 25 D CA 0.153 54.130 54.000 -0.039 0.000 0.834 25 D CB -0.177 40.603 40.800 -0.033 0.000 0.953 25 D HN 0.484 8.854 8.370 -0.000 0.000 0.505 26 S N -0.605 115.064 115.700 -0.051 0.000 2.645 26 S HA 0.310 4.765 4.470 -0.025 0.000 0.266 26 S C 1.389 175.974 174.600 -0.025 0.000 1.258 26 S CA -0.825 57.344 58.200 -0.051 0.000 0.990 26 S CB 1.005 64.154 63.200 -0.084 0.000 0.967 26 S HN 0.057 8.367 8.310 -0.000 0.000 0.556 27 I N 0.648 121.219 120.570 0.002 0.000 2.179 27 I HA -0.152 4.003 4.170 -0.025 0.000 0.242 27 I C 2.197 178.366 176.117 0.087 0.000 1.088 27 I CA 1.277 62.617 61.300 0.066 0.000 1.357 27 I CB -0.433 37.653 38.000 0.143 0.000 1.051 27 I HN 0.655 8.865 8.210 -0.000 0.000 0.409 28 I N 0.849 121.456 120.570 0.061 0.000 2.163 28 I HA -0.334 3.821 4.170 -0.025 0.000 0.243 28 I C 2.803 178.922 176.117 0.003 0.000 1.085 28 I CA 1.525 62.848 61.300 0.038 0.000 1.347 28 I CB -0.507 37.379 38.000 -0.190 0.000 1.044 28 I HN 0.213 8.423 8.210 -0.000 0.000 0.408 29 A N -0.081 122.707 122.820 -0.053 0.000 1.877 29 A HA -0.286 4.019 4.320 -0.025 0.000 0.216 29 A C 2.327 179.885 177.584 -0.043 0.000 1.186 29 A CA 1.797 53.801 52.037 -0.056 0.000 0.620 29 A CB -0.758 18.201 19.000 -0.069 0.000 0.822 29 A HN 0.511 8.661 8.150 -0.000 0.000 0.443 30 Q N -0.766 119.008 119.800 -0.044 0.000 2.135 30 Q HA -0.172 4.153 4.340 -0.025 0.000 0.204 30 Q C 1.894 177.807 176.000 -0.145 0.000 0.981 30 Q CA 2.066 57.825 55.803 -0.074 0.000 0.856 30 Q CB -0.233 28.472 28.738 -0.055 0.000 0.902 30 Q HN 0.628 8.898 8.270 -0.000 0.000 0.425 31 T N 0.568 115.057 114.554 -0.109 0.000 2.904 31 T HA -0.112 4.222 4.350 -0.025 0.000 0.267 31 T C 1.617 176.190 174.700 -0.212 0.000 1.059 31 T CA 1.174 63.117 62.100 -0.262 0.000 1.137 31 T CB -0.070 68.789 68.868 -0.014 0.000 0.879 31 T HN 0.379 8.619 8.240 -0.000 0.000 0.467 32 Q N 0.705 120.523 119.800 0.030 0.000 2.084 32 Q HA -0.034 4.291 4.340 -0.025 0.000 0.202 32 Q C 2.628 178.599 176.000 -0.049 0.000 0.978 32 Q CA 1.207 57.042 55.803 0.053 0.000 0.844 32 Q CB -0.119 28.652 28.738 0.055 0.000 0.898 32 Q HN 0.440 8.710 8.270 -0.000 0.000 0.426 33 R N 0.126 120.576 120.500 -0.084 0.000 2.091 33 R HA -0.128 4.196 4.340 -0.025 0.000 0.238 33 R C 2.281 178.505 176.300 -0.127 0.000 1.136 33 R CA 1.223 57.267 56.100 -0.094 0.000 0.959 33 R CB -0.415 29.832 30.300 -0.090 0.000 0.856 33 R HN 0.212 8.482 8.270 -0.000 0.000 0.437 34 A N 1.252 123.924 122.820 -0.247 0.000 1.933 34 A HA -0.128 4.177 4.320 -0.025 0.000 0.218 34 A C 2.153 179.705 177.584 -0.053 0.000 1.175 34 A CA 1.142 52.997 52.037 -0.303 0.000 0.628 34 A CB -0.450 17.858 19.000 -1.153 0.000 0.814 34 A HN 0.179 8.329 8.150 -0.000 0.000 0.444 35 I N 0.074 120.563 120.570 -0.135 0.000 2.179 35 I HA -0.275 3.879 4.170 -0.025 0.000 0.242 35 I C 2.101 178.276 176.117 0.097 0.000 1.088 35 I CA 1.284 62.636 61.300 0.086 0.000 1.357 35 I CB -0.486 37.501 38.000 -0.022 0.000 1.051 35 I HN 0.301 8.511 8.210 -0.000 0.000 0.409 36 N N 0.370 119.090 118.700 0.034 0.000 2.166 36 N HA -0.129 4.596 4.740 -0.025 0.000 0.186 36 N C 1.843 177.361 175.510 0.014 0.000 1.019 36 N CA 1.685 54.750 53.050 0.025 0.000 0.856 36 N CB -0.526 37.961 38.487 0.001 0.000 0.993 36 N HN 0.330 8.710 8.380 -0.000 0.000 0.426 37 T N 0.284 114.831 114.554 -0.011 0.000 2.737 37 T HA -0.072 4.263 4.350 -0.025 0.000 0.265 37 T C 1.926 176.648 174.700 0.036 0.000 1.038 37 T CA 1.487 63.529 62.100 -0.096 0.000 1.144 37 T CB -0.507 68.100 68.868 -0.434 0.000 0.866 37 T HN 0.273 8.513 8.240 -0.000 0.000 0.434 38 T N 2.103 116.803 114.554 0.244 0.000 2.684 38 T HA -0.103 4.232 4.350 -0.025 0.000 0.267 38 T C 2.033 176.789 174.700 0.094 0.000 1.036 38 T CA 1.227 63.478 62.100 0.252 0.000 1.148 38 T CB -0.220 68.850 68.868 0.337 0.000 0.863 38 T HN 0.425 8.665 8.240 -0.000 0.000 0.436 39 K N 0.886 121.333 120.400 0.078 0.000 2.032 39 K HA -0.091 4.213 4.320 -0.025 0.000 0.209 39 K C 2.759 179.354 176.600 -0.009 0.000 1.048 39 K CA 1.446 57.756 56.287 0.038 0.000 0.927 39 K CB -0.356 32.184 32.500 0.067 0.000 0.712 39 K HN 0.169 8.419 8.250 -0.000 0.000 0.441 40 S N 0.952 116.650 115.700 -0.003 0.000 2.359 40 S HA -0.146 4.309 4.470 -0.025 0.000 0.224 40 S C 1.951 176.520 174.600 -0.052 0.000 1.035 40 S CA 1.120 59.307 58.200 -0.023 0.000 1.018 40 S CB -0.244 62.943 63.200 -0.023 0.000 0.876 40 S HN 0.195 8.505 8.310 -0.000 0.000 0.448 41 I N 1.100 121.643 120.570 -0.044 0.000 2.163 41 I HA -0.218 3.937 4.170 -0.025 0.000 0.243 41 I C 2.250 178.281 176.117 -0.144 0.000 1.085 41 I CA 1.314 62.581 61.300 -0.055 0.000 1.347 41 I CB -0.302 37.695 38.000 -0.005 0.000 1.044 41 I HN 0.317 8.527 8.210 -0.000 0.000 0.408 42 L N -0.111 120.974 121.223 -0.231 0.000 2.023 42 L HA -0.167 4.158 4.340 -0.025 0.000 0.205 42 L C 2.450 178.869 176.870 -0.752 0.000 1.073 42 L CA 1.430 55.925 54.840 -0.575 0.000 0.745 42 L CB -0.399 41.312 42.059 -0.579 0.000 0.900 42 L HN 0.184 8.414 8.230 -0.000 0.000 0.435 43 I N -0.240 120.097 120.570 -0.388 0.000 2.286 43 I HA -0.219 3.936 4.170 -0.025 0.000 0.245 43 I C 1.802 177.870 176.117 -0.082 0.000 1.104 43 I CA 1.542 62.729 61.300 -0.189 0.000 1.397 43 I CB -0.264 37.751 38.000 0.025 0.000 1.072 43 I HN 0.338 8.548 8.210 -0.000 0.000 0.417 44 N N -0.024 118.631 118.700 -0.076 0.000 2.387 44 N HA -0.049 4.676 4.740 -0.025 0.000 0.176 44 N C 1.453 176.926 175.510 -0.062 0.000 1.022 44 N CA 0.571 53.601 53.050 -0.034 0.000 0.883 44 N CB 0.243 38.716 38.487 -0.023 0.000 1.019 44 N HN 0.309 8.688 8.380 -0.000 0.000 0.435 45 E N -0.497 119.648 120.200 -0.092 0.000 2.389 45 E HA 0.101 4.436 4.350 -0.025 0.000 0.199 45 E C 0.924 177.484 176.600 -0.066 0.000 0.978 45 E CA 0.646 57.003 56.400 -0.072 0.000 0.912 45 E CB 0.567 30.247 29.700 -0.033 0.000 0.907 45 E HN 0.211 8.571 8.360 -0.000 0.000 0.494 46 T N 0.280 114.768 114.554 -0.109 0.000 3.156 46 T HA 0.042 4.377 4.350 -0.025 0.000 0.236 46 T C 1.307 176.053 174.700 0.077 0.000 0.978 46 T CA 0.105 62.227 62.100 0.036 0.000 1.240 46 T CB -0.262 68.537 68.868 -0.115 0.000 0.951 46 T HN -0.025 8.215 8.240 -0.000 0.000 0.420 47 F N 1.790 121.639 119.950 -0.168 0.000 2.216 47 F HA 0.106 4.614 4.527 -0.032 0.000 0.300 47 F C -0.792 174.851 175.800 -0.262 0.000 1.085 47 F CA -0.140 57.636 58.000 -0.373 0.000 1.326 47 F CB -2.182 36.145 39.000 -1.123 0.000 1.027 47 F HN 0.240 8.540 8.300 -0.000 0.000 0.497 48 P HA -0.109 4.311 4.420 -0.000 0.000 0.223 48 P C 1.213 178.465 177.300 -0.080 0.000 1.151 48 P CA 1.570 64.695 63.100 0.042 0.000 0.787 48 P CB 0.014 31.726 31.700 0.020 0.000 0.788 49 K N -2.383 117.878 120.400 -0.230 0.000 2.190 49 K HA 0.057 4.361 4.320 -0.025 0.000 0.202 49 K C 0.429 176.702 176.600 -0.545 0.000 1.045 49 K CA 0.593 56.536 56.287 -0.572 0.000 0.976 49 K CB 0.184 31.972 32.500 -1.187 0.000 0.849 49 K HN 0.106 8.356 8.250 -0.000 0.000 0.468 50 W N 1.409 122.736 121.300 0.044 0.000 2.587 50 W HA 0.326 4.971 4.660 -0.025 0.000 0.324 50 W C -0.225 176.372 176.519 0.131 0.000 1.040 50 W CA -1.245 56.148 57.345 0.079 0.000 1.222 50 W CB 1.425 30.930 29.460 0.076 0.000 1.381 50 W HN -0.105 8.075 8.180 -0.000 0.000 0.483 51 S N 4.509 120.396 115.700 0.312 0.000 2.481 51 S HA 0.205 4.660 4.470 -0.025 0.000 0.276 51 S C -0.963 173.756 174.600 0.199 0.000 1.247 51 S CA -1.105 57.227 58.200 0.221 0.000 1.053 51 S CB 0.896 64.191 63.200 0.158 0.000 0.925 51 S HN 0.225 8.535 8.310 -0.000 0.000 0.491 52 P HA 0.098 4.518 4.420 -0.000 0.000 0.245 52 P C 0.740 178.064 177.300 0.040 0.000 1.212 52 P CA 0.350 63.505 63.100 0.092 0.000 0.774 52 P CB 0.065 31.648 31.700 -0.196 0.000 0.999 53 L N -0.171 121.058 121.223 0.010 0.000 2.515 53 L HA 0.136 4.460 4.340 -0.025 0.000 0.223 53 L C 1.526 178.391 176.870 -0.009 0.000 1.079 53 L CA 0.590 55.401 54.840 -0.050 0.000 0.857 53 L CB -0.481 41.488 42.059 -0.150 0.000 1.050 53 L HN 0.064 8.294 8.230 -0.000 0.000 0.476 54 N N -0.353 118.366 118.700 0.031 0.000 2.187 54 N HA 0.130 4.855 4.740 -0.025 0.000 0.212 54 N C 1.081 176.621 175.510 0.051 0.000 1.152 54 N CA 0.568 53.641 53.050 0.039 0.000 0.872 54 N CB 0.921 39.437 38.487 0.049 0.000 1.025 54 N HN 0.149 8.529 8.380 -0.000 0.000 0.514 55 G N 0.356 109.183 108.800 0.046 0.000 2.176 55 G HA2 -0.307 3.638 3.960 -0.025 0.000 0.232 55 G HA3 -0.307 3.638 3.960 -0.025 0.000 0.232 55 G C 0.695 175.628 174.900 0.054 0.000 0.986 55 G CA 0.300 45.416 45.100 0.026 0.000 0.643 55 G HN 0.395 8.685 8.290 -0.000 0.000 0.522 56 E N -0.445 119.815 120.200 0.100 0.000 2.153 56 E HA 0.070 4.405 4.350 -0.025 0.000 0.194 56 E C 0.945 177.605 176.600 0.100 0.000 0.988 56 E CA 0.742 57.223 56.400 0.136 0.000 0.811 56 E CB 0.085 29.918 29.700 0.222 0.000 0.746 56 E HN 0.669 9.029 8.360 -0.000 0.000 0.466 57 I N 0.463 121.101 120.570 0.113 0.000 2.404 57 I HA 0.159 4.314 4.170 -0.025 0.000 0.293 57 I C -0.239 175.916 176.117 0.063 0.000 0.992 57 I CA -0.451 60.902 61.300 0.088 0.000 1.149 57 I CB 2.060 40.193 38.000 0.222 0.000 1.315 57 I HN -0.183 8.027 8.210 -0.000 0.000 0.446 58 S N 5.116 120.821 115.700 0.008 0.000 2.578 58 S HA 0.543 4.998 4.470 -0.025 0.000 0.301 58 S C -0.911 173.669 174.600 -0.034 0.000 1.091 58 S CA -0.464 57.748 58.200 0.021 0.000 1.032 58 S CB 1.462 64.722 63.200 0.100 0.000 1.064 58 S HN 0.398 8.708 8.310 -0.000 0.000 0.508 59 F N 2.359 122.222 119.950 -0.145 0.000 2.388 59 F HA 0.456 4.967 4.527 -0.027 0.000 0.358 59 F C 0.364 176.123 175.800 -0.069 0.000 1.122 59 F CA -0.298 57.589 58.000 -0.189 0.000 1.056 59 F CB 1.043 39.879 39.000 -0.274 0.000 1.155 59 F HN 0.453 8.753 8.300 -0.000 0.000 0.461 60 S N 5.984 121.557 115.700 -0.212 0.000 2.499 60 S HA 0.336 4.791 4.470 -0.025 0.000 0.275 60 S C -1.446 173.305 174.600 0.251 0.000 1.257 60 S CA -0.113 58.119 58.200 0.053 0.000 1.050 60 S CB 0.152 63.347 63.200 -0.007 0.000 0.937 60 S HN 0.606 8.916 8.310 -0.000 0.000 0.490 61 Y N 4.779 125.227 120.300 0.246 0.000 2.421 61 Y HA 0.451 4.986 4.550 -0.025 0.000 0.339 61 Y C 0.018 176.059 175.900 0.235 0.000 0.996 61 Y CA -0.797 57.465 58.100 0.270 0.000 1.046 61 Y CB 1.257 39.875 38.460 0.265 0.000 1.226 61 Y HN 0.751 9.031 8.280 -0.000 0.000 0.445 62 N N 2.466 121.025 118.700 -0.235 0.000 2.240 62 N HA 0.233 4.957 4.740 -0.025 0.000 0.240 62 N C 0.875 176.139 175.510 -0.410 0.000 1.277 62 N CA 0.266 53.198 53.050 -0.197 0.000 0.873 62 N CB 0.837 39.444 38.487 0.201 0.000 1.222 62 N HN 1.029 9.409 8.380 -0.000 0.000 0.507 63 G N -0.902 107.402 108.800 -0.827 0.000 2.184 63 G HA2 -0.206 3.739 3.960 -0.025 0.000 0.264 63 G HA3 -0.206 3.739 3.960 -0.025 0.000 0.264 63 G C 0.447 175.310 174.900 -0.063 0.000 0.975 63 G CA 0.170 45.103 45.100 -0.278 0.000 0.642 63 G HN 0.806 9.096 8.290 -0.000 0.000 0.536 64 G N -0.048 108.682 108.800 -0.118 0.000 2.539 64 G HA2 0.527 4.471 3.960 -0.025 0.000 0.258 64 G HA3 0.527 4.471 3.960 -0.025 0.000 0.258 64 G C 1.059 175.993 174.900 0.058 0.000 1.202 64 G CA 0.489 45.606 45.100 0.028 0.000 0.851 64 G HN 0.825 9.115 8.290 -0.000 0.000 0.556 65 K N -0.146 120.319 120.400 0.108 0.000 2.127 65 K HA -0.179 4.126 4.320 -0.025 0.000 0.208 65 K C 1.017 177.527 176.600 -0.151 0.000 1.047 65 K CA 1.977 58.194 56.287 -0.117 0.000 0.927 65 K CB -0.131 32.051 32.500 -0.530 0.000 0.716 65 K HN 0.439 8.689 8.250 -0.000 0.000 0.450 66 D N 1.546 121.860 120.400 -0.144 0.000 2.091 66 D HA -0.115 4.510 4.640 -0.025 0.000 0.199 66 D C 2.430 178.654 176.300 -0.128 0.000 0.980 66 D CA 1.748 55.638 54.000 -0.184 0.000 0.831 66 D CB -0.500 40.202 40.800 -0.163 0.000 0.987 66 D HN 0.575 8.945 8.370 -0.000 0.000 0.460 67 C N 0.553 119.827 119.300 -0.043 0.000 2.432 67 C HA -0.005 4.440 4.460 -0.025 0.000 0.280 67 C C 2.599 177.729 174.990 0.233 0.000 1.353 67 C CA 0.268 59.349 59.018 0.106 0.000 1.766 67 C CB -1.202 26.609 27.740 0.118 0.000 1.924 67 C HN 0.247 8.477 8.230 -0.000 0.000 0.509 68 Q N 1.064 120.945 119.800 0.136 0.000 2.046 68 Q HA -0.103 4.222 4.340 -0.025 0.000 0.200 68 Q C 2.391 178.437 176.000 0.078 0.000 0.975 68 Q CA 2.095 58.018 55.803 0.201 0.000 0.836 68 Q CB -0.080 28.819 28.738 0.268 0.000 0.896 68 Q HN 0.589 8.859 8.270 -0.000 0.000 0.428 69 V N 1.224 121.134 119.914 -0.008 0.000 2.287 69 V HA -0.268 3.837 4.120 -0.025 0.000 0.248 69 V C 2.337 178.342 176.094 -0.148 0.000 1.053 69 V CA 1.601 63.860 62.300 -0.068 0.000 1.027 69 V CB -0.625 31.031 31.823 -0.278 0.000 0.646 69 V HN 0.433 8.623 8.190 -0.000 0.000 0.447 70 L N -0.369 120.767 121.223 -0.145 0.000 2.046 70 L HA -0.131 4.194 4.340 -0.025 0.000 0.208 70 L C 2.174 179.158 176.870 0.191 0.000 1.077 70 L CA 1.876 56.687 54.840 -0.048 0.000 0.747 70 L CB -0.831 41.209 42.059 -0.031 0.000 0.896 70 L HN 0.309 8.539 8.230 -0.000 0.000 0.432 71 L N -0.933 120.403 121.223 0.189 0.000 2.046 71 L HA -0.194 4.131 4.340 -0.025 0.000 0.208 71 L C 2.328 179.127 176.870 -0.119 0.000 1.077 71 L CA 1.764 56.490 54.840 -0.190 0.000 0.747 71 L CB -0.609 41.129 42.059 -0.534 0.000 0.896 71 L HN 0.292 8.522 8.230 -0.000 0.000 0.432 72 L N -1.351 119.830 121.223 -0.070 0.000 2.017 72 L HA -0.258 4.067 4.340 -0.025 0.000 0.208 72 L C 2.537 179.475 176.870 0.114 0.000 1.073 72 L CA 1.446 56.298 54.840 0.021 0.000 0.745 72 L CB -0.684 41.490 42.059 0.191 0.000 0.894 72 L HN 0.305 8.535 8.230 -0.000 0.000 0.432 73 L N -1.666 119.610 121.223 0.090 0.000 2.083 73 L HA -0.260 4.065 4.340 -0.025 0.000 0.209 73 L C 2.617 179.598 176.870 0.185 0.000 1.083 73 L CA 1.337 56.222 54.840 0.075 0.000 0.752 73 L CB -0.633 41.389 42.059 -0.061 0.000 0.899 73 L HN 0.202 8.432 8.230 -0.000 0.000 0.433 74 Y N 0.647 121.009 120.300 0.104 0.000 2.184 74 Y HA -0.182 4.356 4.550 -0.019 0.000 0.290 74 Y C 2.373 178.397 175.900 0.207 0.000 1.129 74 Y CA 1.366 59.591 58.100 0.208 0.000 1.144 74 Y CB -0.077 38.556 38.460 0.288 0.000 0.995 74 Y HN -0.034 8.246 8.280 -0.000 0.000 0.513 75 L N -0.961 120.396 121.223 0.222 0.000 2.042 75 L HA -0.259 4.066 4.340 -0.025 0.000 0.210 75 L C 2.802 179.791 176.870 0.198 0.000 1.076 75 L CA 1.674 56.600 54.840 0.144 0.000 0.749 75 L CB -0.983 41.113 42.059 0.061 0.000 0.893 75 L HN 0.223 8.453 8.230 -0.000 0.000 0.432 76 S N -0.736 115.093 115.700 0.215 0.000 2.359 76 S HA -0.233 4.222 4.470 -0.025 0.000 0.224 76 S C 2.127 176.957 174.600 0.382 0.000 1.035 76 S CA 1.739 60.133 58.200 0.323 0.000 1.018 76 S CB -0.366 62.993 63.200 0.264 0.000 0.876 76 S HN 0.526 8.836 8.310 -0.000 0.000 0.448 77 C N 1.093 120.556 119.300 0.272 0.000 2.435 77 C HA 0.150 4.594 4.460 -0.025 0.000 0.279 77 C C 2.511 177.696 174.990 0.325 0.000 1.321 77 C CA 0.296 59.484 59.018 0.283 0.000 1.752 77 C CB -1.552 26.303 27.740 0.191 0.000 1.959 77 C HN 0.581 8.811 8.230 -0.000 0.000 0.500 78 L N -0.485 120.853 121.223 0.193 0.000 1.994 78 L HA -0.195 4.130 4.340 -0.025 0.000 0.208 78 L C 2.729 179.734 176.870 0.225 0.000 1.071 78 L CA 1.791 56.680 54.840 0.082 0.000 0.745 78 L CB -0.761 41.298 42.059 -0.001 0.000 0.892 78 L HN 0.612 8.842 8.230 -0.000 0.000 0.431 79 W N 1.577 122.919 121.300 0.069 0.000 2.318 79 W HA -0.285 4.367 4.660 -0.013 0.000 0.313 79 W C 2.368 178.810 176.519 -0.129 0.000 1.221 79 W CA 2.317 59.653 57.345 -0.014 0.000 1.266 79 W CB -0.119 29.325 29.460 -0.026 0.000 1.150 79 W HN 0.330 8.510 8.180 -0.000 0.000 0.496 80 E N -0.830 119.411 120.200 0.068 0.000 2.051 80 E HA -0.311 4.024 4.350 -0.025 0.000 0.192 80 E C 2.188 178.756 176.600 -0.052 0.000 0.991 80 E CA 1.624 57.995 56.400 -0.048 0.000 0.799 80 E CB -0.881 28.965 29.700 0.244 0.000 0.748 80 E HN 0.259 8.619 8.360 -0.000 0.000 0.449 81 Y N -0.449 119.773 120.300 -0.129 0.000 2.145 81 Y HA -0.271 4.276 4.550 -0.006 0.000 0.286 81 Y C 1.550 177.184 175.900 -0.443 0.000 1.145 81 Y CA 1.974 59.901 58.100 -0.287 0.000 1.148 81 Y CB -0.202 38.021 38.460 -0.396 0.000 0.981 81 Y HN 0.155 8.435 8.280 -0.000 0.000 0.507 82 Y N -1.854 118.359 120.300 -0.145 0.000 2.396 82 Y HA -0.019 4.517 4.550 -0.024 0.000 0.292 82 Y C 2.176 177.847 175.900 -0.381 0.000 1.128 82 Y CA 0.493 58.432 58.100 -0.269 0.000 1.194 82 Y CB -0.160 38.191 38.460 -0.182 0.000 1.124 82 Y HN 0.003 8.283 8.280 -0.000 0.000 0.543 83 I N -1.406 118.909 120.570 -0.425 0.000 2.512 83 I HA -0.085 4.069 4.170 -0.025 0.000 0.247 83 I C 2.145 177.968 176.117 -0.490 0.000 1.094 83 I CA 0.795 61.700 61.300 -0.658 0.000 1.427 83 I CB -1.202 35.899 38.000 -1.498 0.000 1.149 83 I HN -0.007 8.203 8.210 -0.000 0.000 0.438 84 V N 1.226 120.847 119.914 -0.488 0.000 2.255 84 V HA -0.182 3.923 4.120 -0.025 0.000 0.243 84 V C 2.159 178.138 176.094 -0.191 0.000 1.038 84 V CA 1.680 63.810 62.300 -0.283 0.000 1.008 84 V CB -0.622 31.051 31.823 -0.250 0.000 0.645 84 V HN 0.325 8.515 8.190 -0.000 0.000 0.449 85 K N -0.497 119.778 120.400 -0.209 0.000 2.444 85 K HA 0.293 4.598 4.320 -0.025 0.000 0.193 85 K C 0.591 177.050 176.600 -0.234 0.000 1.024 85 K CA -0.014 56.158 56.287 -0.192 0.000 1.077 85 K CB 0.153 32.536 32.500 -0.194 0.000 0.833 85 K HN 0.243 8.493 8.250 -0.000 0.000 0.517 86 L N 1.415 122.492 121.223 -0.243 0.000 3.976 86 L HA -0.307 4.018 4.340 -0.025 0.000 0.418 86 L C -0.142 176.590 176.870 -0.229 0.000 1.177 86 L CA -0.208 54.512 54.840 -0.201 0.000 0.968 86 L CB -2.266 39.709 42.059 -0.141 0.000 1.933 86 L HN 0.153 8.383 8.230 -0.000 0.000 0.976 100 L N 2.515 123.705 121.223 -0.055 0.000 2.456 100 L HA 0.313 4.637 4.340 -0.025 0.000 0.277 100 L C 1.393 178.253 176.870 -0.017 0.000 1.124 100 L CA 1.328 56.143 54.840 -0.042 0.000 0.880 100 L CB 0.787 42.807 42.059 -0.066 0.000 1.192 100 L HN 0.327 8.557 8.230 -0.000 0.000 0.463 101 T N 0.849 115.398 114.554 -0.008 0.000 3.023 101 T HA 0.281 4.616 4.350 -0.025 0.000 0.249 101 T C 0.642 175.342 174.700 0.000 0.000 1.050 101 T CA -0.021 62.078 62.100 -0.000 0.000 1.088 101 T CB 0.260 69.128 68.868 0.000 0.000 0.946 101 T HN 0.362 8.602 8.240 -0.000 0.000 0.480 102 K N 0.568 120.967 120.400 -0.002 0.000 2.477 102 K HA 0.540 4.845 4.320 -0.025 0.000 0.255 102 K C -1.822 174.774 176.600 -0.006 0.000 0.952 102 K CA -0.886 55.397 56.287 -0.006 0.000 0.826 102 K CB 2.670 35.167 32.500 -0.005 0.000 1.331 102 K HN 0.085 8.335 8.250 -0.000 0.000 0.437 103 L N 3.704 124.917 121.223 -0.017 0.000 2.260 103 L HA 0.308 4.633 4.340 -0.025 0.000 0.289 103 L C -2.435 174.421 176.870 -0.022 0.000 1.057 103 L CA -1.688 53.146 54.840 -0.010 0.000 0.811 103 L CB 0.800 42.837 42.059 -0.037 0.000 1.184 103 L HN 0.271 8.501 8.230 -0.000 0.000 0.429 104 P HA 0.128 4.548 4.420 -0.000 0.000 0.262 104 P C -1.167 176.134 177.300 0.001 0.000 1.199 104 P CA 0.275 63.344 63.100 -0.052 0.000 0.763 104 P CB 0.436 32.076 31.700 -0.100 0.000 0.790 105 T N 2.310 116.873 114.554 0.015 0.000 2.909 105 T HA 0.508 4.843 4.350 -0.025 0.000 0.299 105 T C -1.045 173.704 174.700 0.081 0.000 1.073 105 T CA -0.574 61.570 62.100 0.073 0.000 0.999 105 T CB 1.813 70.691 68.868 0.016 0.000 1.098 105 T HN 0.152 8.392 8.240 -0.000 0.000 0.477 106 V N 3.665 123.618 119.914 0.065 0.000 2.577 106 V HA 0.815 4.920 4.120 -0.025 0.000 0.303 106 V C -1.966 174.233 176.094 0.174 0.000 1.042 106 V CA -0.843 61.427 62.300 -0.051 0.000 0.872 106 V CB 1.289 32.668 31.823 -0.741 0.000 0.998 106 V HN 0.799 8.989 8.190 -0.000 0.000 0.423 107 F N 8.222 128.199 119.950 0.045 0.000 2.493 107 F HA 0.690 5.202 4.527 -0.025 0.000 0.329 107 F C -0.804 174.973 175.800 -0.038 0.000 1.126 107 F CA -1.495 56.539 58.000 0.058 0.000 0.937 107 F CB 1.624 40.694 39.000 0.118 0.000 1.146 107 F HN 0.358 8.658 8.300 -0.000 0.000 0.442 108 I N 5.425 125.661 120.570 -0.557 0.000 2.291 108 I HA 0.162 4.317 4.170 -0.025 0.000 0.292 108 I C 0.114 175.463 176.117 -1.279 0.000 1.064 108 I CA -0.356 60.515 61.300 -0.716 0.000 1.269 108 I CB 0.167 37.945 38.000 -0.371 0.000 1.418 108 I HN 0.517 8.727 8.210 -0.000 0.000 0.485 109 D N 5.849 125.495 120.400 -1.255 0.000 2.339 109 D HA 0.315 4.940 4.640 -0.025 0.000 0.245 109 D C -0.562 175.207 176.300 -0.886 0.000 1.115 109 D CA 0.238 53.603 54.000 -1.058 0.000 0.917 109 D CB 0.693 41.173 40.800 -0.534 0.000 1.192 109 D HN 0.452 8.822 8.370 -0.000 0.000 0.428 110 H N -0.692 118.283 119.070 -0.158 0.000 2.928 110 H HA 0.184 4.725 4.556 -0.025 0.000 0.371 110 H C 0.178 175.482 175.328 -0.041 0.000 1.186 110 H CA -0.722 55.278 56.048 -0.080 0.000 1.134 110 H CB 1.561 31.294 29.762 -0.047 0.000 1.824 110 H HN 0.305 8.585 8.280 -0.000 0.000 0.554 111 D N -0.304 120.145 120.400 0.080 0.000 2.350 111 D HA -0.140 4.485 4.640 -0.025 0.000 0.216 111 D C 0.424 176.730 176.300 0.009 0.000 0.968 111 D CA 0.671 54.686 54.000 0.025 0.000 0.894 111 D CB 0.024 40.828 40.800 0.006 0.000 0.909 111 D HN 0.642 9.012 8.370 -0.000 0.000 0.520 112 D N -0.747 119.664 120.400 0.019 0.000 2.593 112 D HA 0.054 4.679 4.640 -0.025 0.000 0.241 112 D C -0.335 175.916 176.300 -0.081 0.000 1.257 112 D CA -0.509 53.457 54.000 -0.057 0.000 0.828 112 D CB -0.669 40.086 40.800 -0.075 0.000 1.049 112 D HN -0.160 8.210 8.370 -0.000 0.000 0.490 113 T N 0.786 115.352 114.554 0.020 0.000 2.919 113 T HA 0.177 4.511 4.350 -0.025 0.000 0.302 113 T C 0.249 174.944 174.700 -0.008 0.000 1.031 113 T CA -0.268 61.880 62.100 0.079 0.000 1.127 113 T CB 0.271 69.276 68.868 0.229 0.000 0.952 113 T HN -0.025 8.215 8.240 -0.000 0.000 0.540 114 F N 2.514 122.451 119.950 -0.021 0.000 2.612 114 F HA 0.080 4.592 4.527 -0.025 0.000 0.389 114 F C 1.681 177.455 175.800 -0.043 0.000 1.055 114 F CA -0.103 57.849 58.000 -0.080 0.000 1.232 114 F CB 0.524 39.415 39.000 -0.183 0.000 1.044 114 F HN 0.525 8.825 8.300 -0.000 0.000 0.560 115 K N 1.656 122.127 120.400 0.119 0.000 2.063 115 K HA -0.176 4.129 4.320 -0.025 0.000 0.208 115 K C 1.815 178.466 176.600 0.085 0.000 1.048 115 K CA 2.159 58.495 56.287 0.083 0.000 0.928 115 K CB -0.509 32.018 32.500 0.044 0.000 0.713 115 K HN 0.690 8.940 8.250 -0.000 0.000 0.442 116 T N 1.199 115.800 114.554 0.079 0.000 2.720 116 T HA -0.160 4.175 4.350 -0.025 0.000 0.268 116 T C 1.540 176.264 174.700 0.040 0.000 1.037 116 T CA 1.445 63.557 62.100 0.019 0.000 1.144 116 T CB -0.298 68.515 68.868 -0.092 0.000 0.864 116 T HN 0.158 8.398 8.240 -0.000 0.000 0.444 117 L N 1.383 122.629 121.223 0.039 0.000 2.056 117 L HA -0.028 4.296 4.340 -0.025 0.000 0.207 117 L C 2.409 179.328 176.870 0.082 0.000 1.078 117 L CA 1.721 56.588 54.840 0.046 0.000 0.749 117 L CB -0.630 41.452 42.059 0.038 0.000 0.901 117 L HN 0.106 8.336 8.230 -0.000 0.000 0.433 118 E N 0.016 120.271 120.200 0.091 0.000 2.070 118 E HA -0.234 4.101 4.350 -0.025 0.000 0.197 118 E C 1.939 178.572 176.600 0.054 0.000 1.004 118 E CA 1.508 57.952 56.400 0.074 0.000 0.805 118 E CB -0.585 29.176 29.700 0.102 0.000 0.744 118 E HN 0.581 8.941 8.360 -0.000 0.000 0.451 119 N N 0.543 119.286 118.700 0.072 0.000 2.120 119 N HA -0.141 4.584 4.740 -0.025 0.000 0.188 119 N C 1.690 177.244 175.510 0.073 0.000 1.024 119 N CA 0.657 53.743 53.050 0.060 0.000 0.852 119 N CB -0.676 37.850 38.487 0.066 0.000 1.003 119 N HN 0.130 8.510 8.380 -0.000 0.000 0.424 120 F N 1.599 121.538 119.950 -0.019 0.000 2.134 120 F HA -0.054 4.458 4.527 -0.026 0.000 0.299 120 F C 2.037 177.850 175.800 0.022 0.000 1.097 120 F CA 1.000 58.999 58.000 -0.002 0.000 1.264 120 F CB -0.279 38.717 39.000 -0.007 0.000 1.001 120 F HN -0.091 8.209 8.300 -0.000 0.000 0.479 121 I N 0.275 120.857 120.570 0.021 0.000 2.208 121 I HA -0.301 3.854 4.170 -0.025 0.000 0.245 121 I C 2.233 178.302 176.117 -0.081 0.000 1.097 121 I CA 1.741 63.027 61.300 -0.023 0.000 1.363 121 I CB -0.541 37.337 38.000 -0.204 0.000 1.051 121 I HN 0.138 8.348 8.210 -0.000 0.000 0.413 122 E N 0.622 120.778 120.200 -0.073 0.000 2.051 122 E HA -0.245 4.090 4.350 -0.025 0.000 0.192 122 E C 2.115 178.636 176.600 -0.132 0.000 0.991 122 E CA 1.491 57.847 56.400 -0.073 0.000 0.799 122 E CB -0.057 29.623 29.700 -0.033 0.000 0.748 122 E HN 0.489 8.849 8.360 -0.000 0.000 0.449 123 E N -0.351 119.743 120.200 -0.177 0.000 2.051 123 E HA -0.169 4.166 4.350 -0.025 0.000 0.192 123 E C 2.248 178.638 176.600 -0.350 0.000 0.991 123 E CA 1.806 58.068 56.400 -0.230 0.000 0.799 123 E CB -0.163 29.406 29.700 -0.218 0.000 0.748 123 E HN 0.380 8.740 8.360 -0.000 0.000 0.449 124 T N -1.473 112.794 114.554 -0.480 0.000 2.904 124 T HA -0.016 4.319 4.350 -0.025 0.000 0.267 124 T C 2.105 176.589 174.700 -0.360 0.000 1.059 124 T CA 0.956 62.730 62.100 -0.542 0.000 1.137 124 T CB -0.141 68.441 68.868 -0.476 0.000 0.879 124 T HN -0.093 8.147 8.240 -0.000 0.000 0.467 125 S N 1.687 117.241 115.700 -0.243 0.000 2.374 125 S HA 0.010 4.465 4.470 -0.025 0.000 0.227 125 S C 1.903 176.401 174.600 -0.170 0.000 1.037 125 S CA 1.193 59.281 58.200 -0.187 0.000 1.024 125 S CB -0.579 62.552 63.200 -0.114 0.000 0.861 125 S HN 0.420 8.730 8.310 -0.000 0.000 0.456 126 L N 0.615 121.726 121.223 -0.187 0.000 2.027 126 L HA -0.054 4.271 4.340 -0.025 0.000 0.206 126 L C 2.727 179.472 176.870 -0.209 0.000 1.074 126 L CA 1.263 56.004 54.840 -0.165 0.000 0.745 126 L CB -0.347 41.624 42.059 -0.146 0.000 0.898 126 L HN 0.231 8.461 8.230 -0.000 0.000 0.433 127 R N -0.761 119.530 120.500 -0.348 0.000 2.092 127 R HA -0.180 4.145 4.340 -0.025 0.000 0.231 127 R C 1.567 177.645 176.300 -0.370 0.000 1.119 127 R CA 1.511 57.340 56.100 -0.451 0.000 0.970 127 R CB -0.018 29.836 30.300 -0.744 0.000 0.864 127 R HN 0.278 8.548 8.270 -0.000 0.000 0.440 128 Y N -0.005 120.194 120.300 -0.169 0.000 2.485 128 Y HA 0.322 4.858 4.550 -0.025 0.000 0.260 128 Y C 0.421 176.227 175.900 -0.156 0.000 1.173 128 Y CA -0.437 57.559 58.100 -0.174 0.000 1.252 128 Y CB 0.473 38.783 38.460 -0.250 0.000 1.123 128 Y HN -0.080 8.200 8.280 -0.000 0.000 0.524 129 S N 0.878 116.563 115.700 -0.026 0.000 3.628 129 S HA -0.179 4.276 4.470 -0.025 0.000 0.373 129 S C -0.114 174.458 174.600 -0.047 0.000 0.968 129 S CA 0.111 58.289 58.200 -0.035 0.000 1.215 129 S CB -2.005 61.188 63.200 -0.013 0.000 0.912 129 S HN 0.329 8.639 8.310 -0.000 0.000 0.495 130 L N 1.050 122.224 121.223 -0.082 0.000 2.349 130 L HA 0.431 4.756 4.340 -0.025 0.000 0.275 130 L C 0.836 177.675 176.870 -0.051 0.000 1.115 130 L CA -0.188 54.588 54.840 -0.105 0.000 0.820 130 L CB 1.244 43.183 42.059 -0.199 0.000 1.135 130 L HN 0.320 8.550 8.230 -0.000 0.000 0.445 131 S N 3.962 119.646 115.700 -0.027 0.000 2.464 131 S HA 0.339 4.793 4.470 -0.025 0.000 0.313 131 S C -0.549 174.079 174.600 0.047 0.000 1.078 131 S CA -0.694 57.513 58.200 0.013 0.000 1.096 131 S CB 0.007 63.213 63.200 0.010 0.000 1.032 131 S HN 0.391 8.701 8.310 -0.000 0.000 0.498 132 L N 7.055 128.318 121.223 0.067 0.000 2.255 132 L HA 0.461 4.786 4.340 -0.025 0.000 0.289 132 L C -0.729 176.258 176.870 0.194 0.000 1.046 132 L CA -0.580 54.329 54.840 0.116 0.000 0.816 132 L CB 0.476 42.587 42.059 0.087 0.000 1.197 132 L HN 0.698 8.928 8.230 -0.000 0.000 0.427 133 Y N 4.904 125.277 120.300 0.121 0.000 2.359 133 Y HA 0.328 4.862 4.550 -0.025 0.000 0.334 133 Y C -0.208 175.754 175.900 0.102 0.000 1.058 133 Y CA -0.002 58.199 58.100 0.168 0.000 1.244 133 Y CB 0.542 39.190 38.460 0.313 0.000 1.187 133 Y HN 0.606 8.886 8.280 -0.000 0.000 0.510 134 E N 4.784 124.844 120.200 -0.233 0.000 2.165 134 E HA 0.221 4.556 4.350 -0.025 0.000 0.266 134 E C -0.628 175.689 176.600 -0.472 0.000 0.889 134 E CA -0.741 55.540 56.400 -0.199 0.000 0.756 134 E CB 1.370 31.051 29.700 -0.032 0.000 1.131 134 E HN 0.776 9.136 8.360 -0.000 0.000 0.411 135 S N 2.134 117.605 115.700 -0.381 0.000 2.596 135 S HA -0.001 4.453 4.470 -0.025 0.000 0.260 135 S C 0.257 174.682 174.600 -0.292 0.000 1.336 135 S CA -0.697 57.315 58.200 -0.313 0.000 0.993 135 S CB 0.836 63.884 63.200 -0.254 0.000 0.923 135 S HN 0.468 8.778 8.310 -0.000 0.000 0.567 136 D N 0.466 120.738 120.400 -0.214 0.000 2.346 136 D HA 0.125 4.750 4.640 -0.025 0.000 0.260 136 D C 1.415 177.610 176.300 -0.176 0.000 1.252 136 D CA -0.526 53.376 54.000 -0.164 0.000 0.895 136 D CB 0.708 41.441 40.800 -0.113 0.000 1.097 136 D HN 0.662 9.032 8.370 -0.000 0.000 0.489 137 R N 2.480 122.881 120.500 -0.165 0.000 2.200 137 R HA -0.091 4.234 4.340 -0.025 0.000 0.234 137 R C 0.663 176.911 176.300 -0.087 0.000 1.127 137 R CA 1.211 57.221 56.100 -0.149 0.000 0.989 137 R CB -0.080 30.164 30.300 -0.094 0.000 0.869 137 R HN 0.240 8.509 8.270 -0.000 0.000 0.459 138 D N 0.483 120.840 120.400 -0.072 0.000 2.333 138 D HA -0.020 4.605 4.640 -0.025 0.000 0.208 138 D C -0.027 176.248 176.300 -0.042 0.000 0.984 138 D CA 0.402 54.374 54.000 -0.046 0.000 0.873 138 D CB 0.082 40.859 40.800 -0.039 0.000 0.935 138 D HN 0.288 8.658 8.370 -0.000 0.000 0.521 139 K N 0.806 121.172 120.400 -0.057 0.000 2.350 139 K HA 0.084 4.389 4.320 -0.025 0.000 0.279 139 K C -0.661 175.922 176.600 -0.029 0.000 1.027 139 K CA -0.201 56.059 56.287 -0.045 0.000 0.969 139 K CB 0.965 33.432 32.500 -0.055 0.000 0.954 139 K HN -0.085 8.165 8.250 -0.000 0.000 0.474 140 C N 6.552 125.841 119.300 -0.018 0.000 2.227 140 C HA 0.299 4.743 4.460 -0.025 0.000 0.333 140 C C -0.916 174.068 174.990 -0.010 0.000 1.145 140 C CA -0.160 58.854 59.018 -0.006 0.000 1.643 140 C CB -1.675 26.061 27.740 -0.008 0.000 2.185 140 C HN 0.911 9.141 8.230 -0.000 0.000 0.497 141 E N 2.922 123.121 120.200 -0.002 0.000 2.412 141 E HA 0.515 4.850 4.350 -0.025 0.000 0.279 141 E C -0.571 176.027 176.600 -0.003 0.000 0.984 141 E CA -0.633 55.757 56.400 -0.016 0.000 0.788 141 E CB 1.108 30.789 29.700 -0.032 0.000 1.277 141 E HN 0.464 8.824 8.360 -0.000 0.000 0.455 142 T N -0.893 113.639 114.554 -0.037 0.000 2.766 142 T HA 0.114 4.449 4.350 -0.025 0.000 0.295 142 T C 1.460 176.131 174.700 -0.048 0.000 1.024 142 T CA -0.644 61.426 62.100 -0.048 0.000 1.018 142 T CB 0.478 69.277 68.868 -0.115 0.000 1.002 142 T HN 0.514 8.754 8.240 -0.000 0.000 0.532 143 M N 0.730 120.318 119.600 -0.019 0.000 2.159 143 M HA -0.023 4.442 4.480 -0.025 0.000 0.263 143 M C 2.788 178.948 176.300 -0.233 0.000 1.063 143 M CA 1.861 57.200 55.300 0.064 0.000 1.110 143 M CB -1.997 30.784 32.600 0.302 0.000 1.374 143 M HN 0.938 9.228 8.290 -0.000 0.000 0.411 144 A N 0.358 122.708 122.820 -0.784 0.000 1.902 144 A HA -0.181 4.124 4.320 -0.025 0.000 0.217 144 A C 2.062 179.405 177.584 -0.401 0.000 1.181 144 A CA 1.795 53.121 52.037 -1.184 0.000 0.623 144 A CB -0.679 17.521 19.000 -1.333 0.000 0.818 144 A HN 0.565 8.715 8.150 -0.000 0.000 0.443 145 E N -0.289 119.766 120.200 -0.241 0.000 2.106 145 E HA -0.054 4.281 4.350 -0.025 0.000 0.192 145 E C 2.298 178.875 176.600 -0.038 0.000 0.984 145 E CA 0.898 57.236 56.400 -0.103 0.000 0.806 145 E CB -0.282 29.368 29.700 -0.083 0.000 0.750 145 E HN 0.618 8.978 8.360 -0.000 0.000 0.458 146 A N 0.626 123.416 122.820 -0.050 0.000 1.902 146 A HA -0.156 4.149 4.320 -0.025 0.000 0.217 146 A C 1.860 179.415 177.584 -0.049 0.000 1.181 146 A CA 1.105 53.103 52.037 -0.066 0.000 0.623 146 A CB -0.693 18.220 19.000 -0.146 0.000 0.818 146 A HN 0.182 8.332 8.150 -0.000 0.000 0.443 147 F N -0.144 119.838 119.950 0.054 0.000 2.234 147 F HA -0.071 4.441 4.527 -0.026 0.000 0.299 147 F C 2.325 178.272 175.800 0.245 0.000 1.087 147 F CA 1.496 59.624 58.000 0.213 0.000 1.340 147 F CB -0.201 39.031 39.000 0.387 0.000 1.031 147 F HN 0.303 8.603 8.300 -0.000 0.000 0.500 148 E N 0.316 120.675 120.200 0.266 0.000 2.058 148 E HA -0.179 4.156 4.350 -0.025 0.000 0.194 148 E C 2.074 178.747 176.600 0.123 0.000 0.997 148 E CA 2.258 58.763 56.400 0.175 0.000 0.801 148 E CB -0.676 29.069 29.700 0.075 0.000 0.746 148 E HN 0.226 8.586 8.360 -0.000 0.000 0.450 149 T N 0.349 114.962 114.554 0.098 0.000 2.720 149 T HA -0.152 4.183 4.350 -0.025 0.000 0.268 149 T C 1.505 176.254 174.700 0.082 0.000 1.037 149 T CA 1.350 63.499 62.100 0.083 0.000 1.144 149 T CB -0.587 68.336 68.868 0.092 0.000 0.864 149 T HN 0.302 8.542 8.240 -0.000 0.000 0.444 150 F N 1.690 121.587 119.950 -0.088 0.000 2.134 150 F HA -0.024 4.488 4.527 -0.026 0.000 0.299 150 F C 1.936 177.674 175.800 -0.103 0.000 1.097 150 F CA 0.869 58.682 58.000 -0.312 0.000 1.264 150 F CB -0.461 38.238 39.000 -0.503 0.000 1.001 150 F HN -0.013 8.287 8.300 -0.000 0.000 0.479 151 L N 0.419 121.585 121.223 -0.095 0.000 2.127 151 L HA -0.228 4.097 4.340 -0.025 0.000 0.211 151 L C 2.277 179.063 176.870 -0.140 0.000 1.089 151 L CA 1.792 56.562 54.840 -0.116 0.000 0.757 151 L CB -1.347 40.798 42.059 0.144 0.000 0.899 151 L HN 0.396 8.626 8.230 -0.000 0.000 0.434 152 Q N -1.483 118.254 119.800 -0.104 0.000 2.172 152 Q HA -0.106 4.218 4.340 -0.025 0.000 0.200 152 Q C 2.220 178.102 176.000 -0.197 0.000 0.964 152 Q CA 0.884 56.626 55.803 -0.103 0.000 0.855 152 Q CB 0.130 28.838 28.738 -0.050 0.000 0.918 152 Q HN 0.344 8.614 8.270 -0.000 0.000 0.444 153 V N -0.348 119.380 119.914 -0.309 0.000 2.407 153 V HA -0.112 3.993 4.120 -0.025 0.000 0.245 153 V C 0.471 176.068 176.094 -0.830 0.000 1.041 153 V CA 1.244 63.226 62.300 -0.530 0.000 1.040 153 V CB -0.062 31.465 31.823 -0.493 0.000 0.671 153 V HN 0.192 8.382 8.190 -0.000 0.000 0.455 154 F N 1.116 120.797 119.950 -0.448 0.000 2.449 154 F HA 0.405 4.918 4.527 -0.024 0.000 0.329 154 F C -1.567 174.051 175.800 -0.303 0.000 1.245 154 F CA -2.406 55.352 58.000 -0.403 0.000 1.193 154 F CB 0.733 39.376 39.000 -0.596 0.000 1.425 154 F HN 0.079 8.379 8.300 -0.000 0.000 0.544 155 P HA -0.181 4.239 4.420 -0.000 0.000 0.230 155 P C 1.172 178.489 177.300 0.029 0.000 1.158 155 P CA 1.122 64.208 63.100 -0.024 0.000 0.769 155 P CB 0.214 31.899 31.700 -0.023 0.000 0.807 156 E N 0.081 120.312 120.200 0.051 0.000 2.418 156 E HA -0.045 4.290 4.350 -0.025 0.000 0.197 156 E C -0.107 176.541 176.600 0.080 0.000 1.026 156 E CA 0.506 56.952 56.400 0.076 0.000 0.862 156 E CB -1.403 28.349 29.700 0.087 0.000 0.799 156 E HN 0.079 8.439 8.360 -0.000 0.000 0.518 157 T N 2.221 116.804 114.554 0.048 0.000 2.829 157 T HA 0.103 4.438 4.350 -0.025 0.000 0.293 157 T C 0.659 175.408 174.700 0.082 0.000 0.970 157 T CA 0.127 62.248 62.100 0.035 0.000 1.168 157 T CB 1.140 69.995 68.868 -0.021 0.000 0.911 157 T HN 0.151 8.391 8.240 -0.000 0.000 0.535 158 K N 1.303 121.749 120.400 0.077 0.000 2.313 158 K HA 0.423 4.728 4.320 -0.025 0.000 0.197 158 K C 0.713 177.291 176.600 -0.037 0.000 1.061 158 K CA 0.075 56.422 56.287 0.099 0.000 0.980 158 K CB 0.672 33.289 32.500 0.195 0.000 0.888 158 K HN 0.639 8.889 8.250 -0.000 0.000 0.502 159 A N 1.214 123.923 122.820 -0.185 0.000 2.549 159 A HA 0.676 4.981 4.320 -0.025 0.000 0.297 159 A C -1.395 176.059 177.584 -0.218 0.000 1.061 159 A CA -0.683 51.177 52.037 -0.294 0.000 0.690 159 A CB 1.283 19.797 19.000 -0.809 0.000 1.287 159 A HN 0.083 8.233 8.150 -0.000 0.000 0.402 160 I N 1.855 122.300 120.570 -0.209 0.000 2.499 160 I HA 0.327 4.481 4.170 -0.025 0.000 0.288 160 I C -0.618 175.337 176.117 -0.269 0.000 1.048 160 I CA -1.018 60.115 61.300 -0.279 0.000 1.062 160 I CB 2.083 39.786 38.000 -0.495 0.000 1.238 160 I HN 0.365 8.575 8.210 -0.000 0.000 0.426 161 V N 7.245 126.937 119.914 -0.369 0.000 2.555 161 V HA 0.333 4.438 4.120 -0.025 0.000 0.286 161 V C 0.084 175.814 176.094 -0.608 0.000 1.044 161 V CA 0.097 62.086 62.300 -0.520 0.000 1.026 161 V CB 0.959 32.291 31.823 -0.819 0.000 0.981 161 V HN 0.442 8.632 8.190 -0.000 0.000 0.480 162 I N 3.078 123.378 120.570 -0.450 0.000 2.534 162 I HA 0.408 4.563 4.170 -0.025 0.000 0.288 162 I C 0.897 176.840 176.117 -0.289 0.000 1.077 162 I CA -0.483 60.613 61.300 -0.341 0.000 1.051 162 I CB 1.985 39.836 38.000 -0.248 0.000 1.234 162 I HN 0.652 8.862 8.210 -0.000 0.000 0.425 163 G N 6.820 115.471 108.800 -0.247 0.000 3.414 163 G HA2 0.340 4.285 3.960 -0.025 0.000 0.258 163 G HA3 0.340 4.285 3.960 -0.025 0.000 0.258 163 G C 0.301 175.099 174.900 -0.169 0.000 1.348 163 G CA -0.061 44.914 45.100 -0.208 0.000 1.319 163 G HN 0.462 8.752 8.290 -0.000 0.000 0.555 164 I N 0.387 120.861 120.570 -0.159 0.000 2.575 164 I HA 0.263 4.418 4.170 -0.025 0.000 0.285 164 I C 0.662 176.691 176.117 -0.148 0.000 1.085 164 I CA -0.163 61.063 61.300 -0.123 0.000 1.403 164 I CB 0.910 38.848 38.000 -0.104 0.000 1.409 164 I HN 0.083 8.293 8.210 -0.000 0.000 0.557 165 R N 3.715 124.151 120.500 -0.107 0.000 2.778 165 R HA 0.338 4.663 4.340 -0.025 0.000 0.277 165 R C 0.589 176.868 176.300 -0.034 0.000 0.977 165 R CA -0.958 55.080 56.100 -0.104 0.000 0.950 165 R CB 1.244 31.503 30.300 -0.067 0.000 1.165 165 R HN 0.536 8.806 8.270 -0.000 0.000 0.474 166 H N 0.799 119.859 119.070 -0.016 0.000 2.460 166 H HA -0.115 4.426 4.556 -0.025 0.000 0.297 166 H C 1.719 177.012 175.328 -0.059 0.000 1.103 166 H CA 2.300 58.327 56.048 -0.035 0.000 1.292 166 H CB 0.028 29.783 29.762 -0.011 0.000 1.376 166 H HN 0.678 8.958 8.280 -0.000 0.000 0.531 167 T N -1.849 112.755 114.554 0.083 0.000 3.118 167 T HA -0.029 4.306 4.350 -0.025 0.000 0.260 167 T C 0.445 175.146 174.700 0.002 0.000 1.139 167 T CA -0.129 61.986 62.100 0.025 0.000 1.085 167 T CB 0.048 68.933 68.868 0.028 0.000 0.934 167 T HN -0.013 8.227 8.240 -0.000 0.000 0.518 168 D N 3.302 123.708 120.400 0.010 0.000 2.372 168 D HA 0.279 4.904 4.640 -0.025 0.000 0.243 168 D C -2.505 173.790 176.300 -0.009 0.000 1.121 168 D CA -1.957 52.050 54.000 0.012 0.000 0.898 168 D CB 0.575 41.389 40.800 0.024 0.000 1.202 168 D HN 0.154 8.524 8.370 -0.000 0.000 0.428 169 P HA -0.023 4.397 4.420 -0.000 0.000 0.262 169 P C -0.034 177.250 177.300 -0.026 0.000 1.182 169 P CA 0.156 63.165 63.100 -0.152 0.000 0.761 169 P CB 0.060 31.699 31.700 -0.102 0.000 0.795 170 F N 1.016 120.961 119.950 -0.009 0.000 2.825 170 F HA -0.223 4.288 4.527 -0.026 0.000 0.358 170 F C 1.647 177.434 175.800 -0.021 0.000 0.639 170 F CA 1.311 59.303 58.000 -0.013 0.000 1.153 170 F CB -2.405 36.594 39.000 -0.002 0.000 1.610 170 F HN 0.477 8.777 8.300 -0.000 0.000 0.305 171 G N -0.012 108.841 108.800 0.089 0.000 2.838 171 G HA2 0.040 3.985 3.960 -0.025 0.000 0.210 171 G HA3 0.040 3.985 3.960 -0.025 0.000 0.210 171 G C 0.571 175.547 174.900 0.128 0.000 1.153 171 G CA 0.412 45.567 45.100 0.092 0.000 0.778 171 G HN 0.481 8.771 8.290 -0.000 0.000 0.539 172 E N 1.486 121.645 120.200 -0.068 0.000 2.415 172 E HA -0.077 4.258 4.350 -0.025 0.000 0.263 172 E C -0.067 176.301 176.600 -0.386 0.000 0.995 172 E CA 0.039 56.188 56.400 -0.419 0.000 0.915 172 E CB -0.017 29.269 29.700 -0.689 0.000 0.951 172 E HN 0.515 8.875 8.360 -0.000 0.000 0.449 173 H N 0.095 119.075 119.070 -0.149 0.000 3.211 173 H HA -0.186 4.355 4.556 -0.026 0.000 0.240 173 H C 0.228 175.621 175.328 0.108 0.000 1.148 173 H CA 0.826 56.840 56.048 -0.057 0.000 1.160 173 H CB -2.229 27.504 29.762 -0.048 0.000 1.232 173 H HN 0.489 8.769 8.280 -0.000 0.000 0.321 174 L N 1.127 122.524 121.223 0.290 0.000 2.476 174 L HA 0.137 4.462 4.340 -0.025 0.000 0.264 174 L C 1.101 178.114 176.870 0.238 0.000 1.224 174 L CA 0.468 55.428 54.840 0.201 0.000 0.821 174 L CB 0.389 42.506 42.059 0.097 0.000 1.101 174 L HN -0.037 8.193 8.230 -0.000 0.000 0.488 175 K N 1.625 122.090 120.400 0.110 0.000 2.203 175 K HA 0.318 4.622 4.320 -0.025 0.000 0.251 175 K C -1.922 174.708 176.600 0.049 0.000 0.944 175 K CA -1.835 54.510 56.287 0.098 0.000 0.829 175 K CB 1.662 34.211 32.500 0.081 0.000 1.125 175 K HN 0.134 8.384 8.250 -0.000 0.000 0.430 176 P HA -0.103 4.317 4.420 -0.000 0.000 0.216 176 P C -0.017 177.307 177.300 0.040 0.000 1.154 176 P CA 1.405 64.525 63.100 0.034 0.000 0.865 176 P CB 0.233 31.962 31.700 0.050 0.000 0.789 177 I N -0.704 119.917 120.570 0.086 0.000 2.478 177 I HA 0.311 4.466 4.170 -0.025 0.000 0.287 177 I C -0.374 175.868 176.117 0.209 0.000 1.042 177 I CA -0.656 60.733 61.300 0.149 0.000 1.067 177 I CB 1.851 39.970 38.000 0.198 0.000 1.233 177 I HN -0.073 8.137 8.210 -0.000 0.000 0.431 178 Q N 4.941 124.865 119.800 0.207 0.000 2.479 178 Q HA 0.501 4.826 4.340 -0.025 0.000 0.276 178 Q C -1.744 174.179 176.000 -0.129 0.000 0.989 178 Q CA -1.269 54.588 55.803 0.091 0.000 0.864 178 Q CB 2.155 30.893 28.738 0.001 0.000 1.444 178 Q HN 0.379 8.649 8.270 -0.000 0.000 0.388 179 K N 1.439 121.598 120.400 -0.402 0.000 2.319 179 K HA 0.182 4.487 4.320 -0.025 0.000 0.265 179 K C 0.170 176.509 176.600 -0.435 0.000 1.000 179 K CA 0.484 56.418 56.287 -0.589 0.000 0.943 179 K CB 0.582 32.726 32.500 -0.593 0.000 0.950 179 K HN 0.773 9.023 8.250 -0.000 0.000 0.485 180 T N -0.510 113.715 114.554 -0.547 0.000 2.734 180 T HA 0.019 4.354 4.350 -0.025 0.000 0.314 180 T C 0.276 174.755 174.700 -0.369 0.000 1.057 180 T CA -0.816 60.922 62.100 -0.602 0.000 1.047 180 T CB 0.454 68.831 68.868 -0.817 0.000 0.991 180 T HN 0.352 8.592 8.240 -0.000 0.000 0.540 181 D N 0.008 120.224 120.400 -0.308 0.000 2.398 181 D HA 0.365 4.990 4.640 -0.025 0.000 0.247 181 D C 1.581 177.857 176.300 -0.040 0.000 1.227 181 D CA -0.058 53.862 54.000 -0.133 0.000 0.980 181 D CB 0.475 41.228 40.800 -0.077 0.000 1.106 181 D HN 0.683 9.053 8.370 -0.000 0.000 0.493 182 A N 1.429 124.238 122.820 -0.019 0.000 1.948 182 A HA -0.242 4.062 4.320 -0.025 0.000 0.220 182 A C 1.527 179.131 177.584 0.035 0.000 1.177 182 A CA 1.747 53.783 52.037 -0.001 0.000 0.636 182 A CB -0.640 18.356 19.000 -0.005 0.000 0.815 182 A HN 0.657 8.807 8.150 -0.000 0.000 0.449 183 N N -2.112 116.635 118.700 0.078 0.000 2.515 183 N HA -0.035 4.690 4.740 -0.025 0.000 0.185 183 N C 0.054 175.604 175.510 0.068 0.000 1.109 183 N CA 0.152 53.243 53.050 0.068 0.000 0.903 183 N CB -0.300 38.223 38.487 0.060 0.000 0.969 183 N HN 0.600 8.980 8.380 -0.000 0.000 0.450 184 W N 1.852 123.092 121.300 -0.099 0.000 2.497 184 W HA 0.511 5.156 4.660 -0.024 0.000 0.359 184 W C -1.792 174.669 176.519 -0.097 0.000 1.131 184 W CA -1.767 55.514 57.345 -0.107 0.000 1.280 184 W CB 0.277 29.600 29.460 -0.229 0.000 1.319 184 W HN -0.185 7.995 8.180 -0.000 0.000 0.626 185 P HA -0.078 4.342 4.420 -0.000 0.000 0.268 185 P C -0.547 176.776 177.300 0.039 0.000 1.208 185 P CA 0.120 63.333 63.100 0.188 0.000 0.777 185 P CB 0.722 32.650 31.700 0.380 0.000 0.875 186 D N 1.765 122.202 120.400 0.061 0.000 2.339 186 D HA 0.367 4.992 4.640 -0.025 0.000 0.241 186 D C -0.725 175.622 176.300 0.079 0.000 1.183 186 D CA -0.026 53.952 54.000 -0.037 0.000 0.859 186 D CB -0.709 40.102 40.800 0.019 0.000 1.067 186 D HN 0.261 8.631 8.370 -0.000 0.000 0.484 187 F N 1.240 121.176 119.950 -0.024 0.000 2.741 187 F HA 0.445 4.957 4.527 -0.026 0.000 0.313 187 F C -1.680 174.033 175.800 -0.144 0.000 1.153 187 F CA -1.473 56.509 58.000 -0.031 0.000 0.931 187 F CB 0.710 39.717 39.000 0.013 0.000 1.335 187 F HN -0.023 8.277 8.300 -0.000 0.000 0.460 188 Y N 1.736 122.066 120.300 0.051 0.000 2.336 188 Y HA 0.489 5.025 4.550 -0.023 0.000 0.335 188 Y C 0.500 176.365 175.900 -0.057 0.000 1.046 188 Y CA -0.318 57.706 58.100 -0.126 0.000 1.198 188 Y CB 1.041 39.283 38.460 -0.363 0.000 1.182 188 Y HN 0.357 8.637 8.280 -0.000 0.000 0.502 189 R N 4.709 125.213 120.500 0.006 0.000 2.316 189 R HA 0.293 4.618 4.340 -0.025 0.000 0.314 189 R C -1.166 175.098 176.300 -0.061 0.000 1.069 189 R CA -0.207 55.863 56.100 -0.049 0.000 0.959 189 R CB 0.300 30.497 30.300 -0.173 0.000 0.987 189 R HN 0.576 8.846 8.270 -0.000 0.000 0.446 190 L N 3.982 125.135 121.223 -0.117 0.000 2.280 190 L HA 0.285 4.610 4.340 -0.025 0.000 0.287 190 L C 0.078 176.867 176.870 -0.134 0.000 1.023 190 L CA -0.190 54.582 54.840 -0.114 0.000 0.819 190 L CB 1.387 43.365 42.059 -0.134 0.000 1.212 190 L HN 0.518 8.748 8.230 -0.000 0.000 0.420 191 Q N 4.504 124.246 119.800 -0.096 0.000 2.965 191 Q HA 0.238 4.563 4.340 -0.025 0.000 0.288 191 Q C -2.019 173.932 176.000 -0.081 0.000 0.974 191 Q CA -1.436 54.295 55.803 -0.119 0.000 0.849 191 Q CB 1.614 30.280 28.738 -0.121 0.000 1.280 191 Q HN 0.388 8.658 8.270 -0.000 0.000 0.441 192 P HA -0.002 4.418 4.420 -0.000 0.000 0.255 192 P C 0.329 177.627 177.300 -0.003 0.000 1.248 192 P CA 0.217 63.319 63.100 0.004 0.000 0.807 192 P CB 0.385 32.085 31.700 0.000 0.000 1.150 193 L N -1.443 119.681 121.223 -0.164 0.000 2.766 193 L HA 0.265 4.590 4.340 -0.025 0.000 0.242 193 L C 1.610 178.322 176.870 -0.263 0.000 1.136 193 L CA 0.391 55.016 54.840 -0.357 0.000 0.933 193 L CB -0.524 41.238 42.059 -0.494 0.000 1.241 193 L HN -0.182 8.048 8.230 -0.000 0.000 0.522 194 L N -0.098 121.014 121.223 -0.186 0.000 2.127 194 L HA -0.216 4.109 4.340 -0.025 0.000 0.211 194 L C 2.232 178.976 176.870 -0.210 0.000 1.089 194 L CA 1.373 56.010 54.840 -0.338 0.000 0.757 194 L CB -0.669 41.016 42.059 -0.624 0.000 0.899 194 L HN 0.550 8.780 8.230 -0.000 0.000 0.434 195 H N -3.425 115.664 119.070 0.031 0.000 2.539 195 H HA -0.028 4.512 4.556 -0.026 0.000 0.267 195 H C -0.117 175.283 175.328 0.122 0.000 0.982 195 H CA -0.546 55.570 56.048 0.112 0.000 1.146 195 H CB -0.578 29.230 29.762 0.076 0.000 1.382 195 H HN 0.173 8.453 8.280 -0.000 0.000 0.577 196 W N 4.100 125.154 121.300 -0.410 0.000 2.287 196 W HA 0.148 4.791 4.660 -0.028 0.000 0.313 196 W C 0.456 176.893 176.519 -0.136 0.000 1.267 196 W CA -0.347 56.832 57.345 -0.277 0.000 1.201 196 W CB 0.570 29.823 29.460 -0.346 0.000 1.196 196 W HN 0.319 8.499 8.180 -0.000 0.000 0.536 197 N N 1.460 120.210 118.700 0.084 0.000 2.491 197 N HA 0.255 4.980 4.740 -0.025 0.000 0.279 197 N C 0.467 176.019 175.510 0.069 0.000 1.236 197 N CA -0.625 52.468 53.050 0.071 0.000 0.982 197 N CB 0.194 38.715 38.487 0.057 0.000 1.194 197 N HN 0.293 8.673 8.380 -0.000 0.000 0.582 198 L N -0.251 121.002 121.223 0.049 0.000 2.046 198 L HA 0.065 4.390 4.340 -0.025 0.000 0.208 198 L C 2.179 179.092 176.870 0.072 0.000 1.077 198 L CA 2.092 56.922 54.840 -0.016 0.000 0.747 198 L CB -1.500 40.604 42.059 0.076 0.000 0.896 198 L HN 0.808 9.038 8.230 -0.000 0.000 0.432 199 A N -0.595 122.376 122.820 0.252 0.000 1.940 199 A HA -0.271 4.034 4.320 -0.025 0.000 0.219 199 A C 2.059 179.832 177.584 0.315 0.000 1.176 199 A CA 2.158 54.461 52.037 0.444 0.000 0.631 199 A CB -0.972 18.256 19.000 0.379 0.000 0.814 199 A HN 0.695 8.845 8.150 -0.000 0.000 0.446 200 N N -0.052 118.748 118.700 0.167 0.000 2.084 200 N HA -0.103 4.622 4.740 -0.025 0.000 0.190 200 N C 1.566 177.253 175.510 0.295 0.000 1.030 200 N CA 1.351 54.463 53.050 0.102 0.000 0.849 200 N CB -0.226 38.155 38.487 -0.176 0.000 1.012 200 N HN 0.333 8.713 8.380 -0.000 0.000 0.423 201 I N 0.495 121.215 120.570 0.250 0.000 2.118 201 I HA -0.282 3.873 4.170 -0.025 0.000 0.241 201 I C 1.895 177.970 176.117 -0.070 0.000 1.070 201 I CA 1.613 62.938 61.300 0.040 0.000 1.327 201 I CB -1.216 36.585 38.000 -0.332 0.000 1.034 201 I HN 0.365 8.575 8.210 -0.000 0.000 0.405 202 W N 0.721 121.945 121.300 -0.128 0.000 2.358 202 W HA -0.207 4.438 4.660 -0.025 0.000 0.303 202 W C 3.122 179.277 176.519 -0.606 0.000 1.208 202 W CA 1.044 58.107 57.345 -0.468 0.000 1.274 202 W CB -0.590 28.380 29.460 -0.816 0.000 1.138 202 W HN 0.080 8.260 8.180 -0.000 0.000 0.515 203 S N 0.323 115.887 115.700 -0.226 0.000 2.353 203 S HA -0.286 4.168 4.470 -0.025 0.000 0.222 203 S C 1.780 176.548 174.600 0.281 0.000 1.035 203 S CA 1.668 59.944 58.200 0.128 0.000 1.025 203 S CB -0.768 62.723 63.200 0.484 0.000 0.902 203 S HN 0.237 8.547 8.310 -0.000 0.000 0.440 204 F N 1.394 121.371 119.950 0.045 0.000 2.134 204 F HA 0.013 4.524 4.527 -0.026 0.000 0.299 204 F C 1.922 177.750 175.800 0.046 0.000 1.097 204 F CA 1.395 59.338 58.000 -0.096 0.000 1.264 204 F CB -0.572 38.371 39.000 -0.095 0.000 1.001 204 F HN 0.293 8.593 8.300 -0.000 0.000 0.479 205 L N 0.050 121.283 121.223 0.016 0.000 2.056 205 L HA -0.139 4.186 4.340 -0.025 0.000 0.207 205 L C 2.130 178.943 176.870 -0.095 0.000 1.078 205 L CA 1.666 56.470 54.840 -0.060 0.000 0.749 205 L CB -0.865 41.210 42.059 0.026 0.000 0.901 205 L HN 0.191 8.421 8.230 -0.000 0.000 0.433 206 L N -2.219 118.950 121.223 -0.089 0.000 2.017 206 L HA -0.262 4.063 4.340 -0.025 0.000 0.208 206 L C 2.481 179.309 176.870 -0.069 0.000 1.073 206 L CA 1.535 56.276 54.840 -0.165 0.000 0.745 206 L CB -0.844 41.059 42.059 -0.260 0.000 0.894 206 L HN 0.281 8.511 8.230 -0.000 0.000 0.432 207 Y N 1.166 121.431 120.300 -0.058 0.000 2.165 207 Y HA -0.352 4.182 4.550 -0.026 0.000 0.286 207 Y C 2.964 178.808 175.900 -0.093 0.000 1.155 207 Y CA 1.724 59.829 58.100 0.007 0.000 1.164 207 Y CB -0.268 38.354 38.460 0.270 0.000 0.978 207 Y HN 0.304 8.584 8.280 -0.000 0.000 0.513 208 S N 0.062 115.644 115.700 -0.196 0.000 2.440 208 S HA -0.271 4.184 4.470 -0.025 0.000 0.238 208 S C 1.416 175.930 174.600 -0.144 0.000 1.010 208 S CA 1.251 59.297 58.200 -0.257 0.000 0.972 208 S CB -0.669 62.319 63.200 -0.353 0.000 0.774 208 S HN 0.737 9.047 8.310 -0.000 0.000 0.501 209 N N 0.605 119.213 118.700 -0.154 0.000 2.753 209 N HA -0.145 4.580 4.740 -0.025 0.000 0.251 209 N C -1.071 174.499 175.510 0.101 0.000 1.097 209 N CA 1.146 54.133 53.050 -0.105 0.000 0.786 209 N CB -1.551 36.756 38.487 -0.300 0.000 1.137 209 N HN 0.635 9.015 8.380 -0.000 0.000 0.566 210 E N 0.633 120.896 120.200 0.106 0.000 2.343 210 E HA 0.293 4.628 4.350 -0.025 0.000 0.269 210 E C -2.040 174.671 176.600 0.185 0.000 1.047 210 E CA -1.299 55.215 56.400 0.190 0.000 0.874 210 E CB 0.303 30.148 29.700 0.241 0.000 1.033 210 E HN 0.293 8.653 8.360 -0.000 0.000 0.409 211 P HA 0.160 4.580 4.420 -0.000 0.000 0.271 211 P C -0.183 177.382 177.300 0.442 0.000 1.216 211 P CA 0.029 63.286 63.100 0.262 0.000 0.771 211 P CB 0.392 32.226 31.700 0.223 0.000 0.864 212 I N -0.092 120.678 120.570 0.333 0.000 2.957 212 I HA 0.501 4.656 4.170 -0.025 0.000 0.310 212 I C -0.214 175.797 176.117 -0.177 0.000 1.063 212 I CA -1.428 59.986 61.300 0.189 0.000 1.033 212 I CB 1.756 39.891 38.000 0.225 0.000 1.230 212 I HN 0.274 8.484 8.210 -0.000 0.000 0.447 213 C N 3.577 122.426 119.300 -0.753 0.000 2.592 213 C HA 0.062 4.507 4.460 -0.025 0.000 0.408 213 C C 1.814 176.686 174.990 -0.197 0.000 1.436 213 C CA 0.103 58.629 59.018 -0.821 0.000 1.595 213 C CB -0.624 26.579 27.740 -0.896 0.000 2.487 213 C HN 0.897 9.127 8.230 -0.000 0.000 0.610 214 E N 3.225 123.373 120.200 -0.086 0.000 2.333 214 E HA -0.122 4.213 4.350 -0.025 0.000 0.198 214 E C 1.890 178.560 176.600 0.117 0.000 1.007 214 E CA 0.997 57.460 56.400 0.106 0.000 0.845 214 E CB -0.050 29.737 29.700 0.145 0.000 0.766 214 E HN 0.836 9.196 8.360 -0.000 0.000 0.507 215 L N -0.282 120.837 121.223 -0.172 0.000 2.079 215 L HA -0.228 4.096 4.340 -0.025 0.000 0.210 215 L C 2.257 179.182 176.870 0.092 0.000 1.081 215 L CA 1.198 55.900 54.840 -0.229 0.000 0.752 215 L CB -0.695 40.826 42.059 -0.896 0.000 0.896 215 L HN 0.131 8.361 8.230 -0.000 0.000 0.433 216 Y N -0.122 120.274 120.300 0.159 0.000 2.165 216 Y HA -0.277 4.258 4.550 -0.025 0.000 0.286 216 Y C 2.800 178.675 175.900 -0.041 0.000 1.155 216 Y CA 1.278 59.486 58.100 0.180 0.000 1.164 216 Y CB -0.676 38.005 38.460 0.368 0.000 0.978 216 Y HN 0.069 8.349 8.280 -0.000 0.000 0.513 217 R N -0.077 120.556 120.500 0.221 0.000 2.117 217 R HA -0.202 4.123 4.340 -0.025 0.000 0.243 217 R C 1.259 177.432 176.300 -0.212 0.000 1.143 217 R CA 1.677 57.765 56.100 -0.019 0.000 0.968 217 R CB -1.076 29.311 30.300 0.145 0.000 0.863 217 R HN 0.464 8.734 8.270 -0.000 0.000 0.444 218 Y N -1.659 118.649 120.300 0.013 0.000 2.461 218 Y HA 0.262 4.797 4.550 -0.025 0.000 0.277 218 Y C 1.427 177.244 175.900 -0.138 0.000 1.182 218 Y CA 0.454 58.553 58.100 -0.002 0.000 1.276 218 Y CB 0.852 39.368 38.460 0.094 0.000 1.087 218 Y HN 0.334 8.614 8.280 -0.000 0.000 0.519 219 G N -0.983 107.773 108.800 -0.073 0.000 2.211 219 G HA2 -0.242 3.703 3.960 -0.025 0.000 0.201 219 G HA3 -0.242 3.703 3.960 -0.025 0.000 0.201 219 G C -0.019 174.705 174.900 -0.295 0.000 0.997 219 G CA -0.747 44.219 45.100 -0.222 0.000 0.652 219 G HN 0.127 8.417 8.290 -0.000 0.000 0.500 220 F N 1.846 121.749 119.950 -0.079 0.000 2.518 220 F HA 0.446 4.958 4.527 -0.025 0.000 0.359 220 F C 1.913 177.838 175.800 0.208 0.000 1.118 220 F CA 1.205 59.188 58.000 -0.029 0.000 1.287 220 F CB 1.424 40.312 39.000 -0.188 0.000 1.132 220 F HN 0.111 8.411 8.300 -0.000 0.000 0.587 221 T N -2.870 111.928 114.554 0.407 0.000 2.964 221 T HA 0.159 4.494 4.350 -0.025 0.000 0.249 221 T C 0.447 175.421 174.700 0.456 0.000 1.000 221 T CA -0.018 62.382 62.100 0.499 0.000 0.992 221 T CB 0.242 69.328 68.868 0.364 0.000 1.087 221 T HN 0.398 8.638 8.240 -0.000 0.000 0.489 222 S N 0.633 116.537 115.700 0.341 0.000 2.500 222 S HA 0.713 5.168 4.470 -0.025 0.000 0.301 222 S C -1.057 173.656 174.600 0.189 0.000 1.092 222 S CA -0.903 57.447 58.200 0.250 0.000 1.030 222 S CB 0.855 64.173 63.200 0.196 0.000 1.031 222 S HN 0.408 8.718 8.310 -0.000 0.000 0.483 223 L N 4.834 126.124 121.223 0.111 0.000 2.426 223 L HA 0.466 4.791 4.340 -0.025 0.000 0.255 223 L C 1.095 178.053 176.870 0.147 0.000 1.080 223 L CA -0.706 54.145 54.840 0.020 0.000 0.960 223 L CB 0.357 42.326 42.059 -0.149 0.000 1.326 223 L HN 0.790 9.020 8.230 -0.000 0.000 0.441 224 G N 1.982 110.910 108.800 0.212 0.000 2.666 224 G HA2 0.119 4.064 3.960 -0.025 0.000 0.207 224 G HA3 0.119 4.064 3.960 -0.025 0.000 0.207 224 G C -0.026 174.994 174.900 0.200 0.000 1.481 224 G CA -0.492 44.715 45.100 0.177 0.000 1.071 224 G HN 0.630 8.920 8.290 -0.000 0.000 0.572 225 N N -1.539 117.201 118.700 0.067 0.000 2.463 225 N HA 0.237 4.962 4.740 -0.025 0.000 0.270 225 N C 1.214 176.536 175.510 -0.314 0.000 1.205 225 N CA 0.061 53.059 53.050 -0.086 0.000 0.974 225 N CB 1.552 39.989 38.487 -0.084 0.000 1.197 225 N HN 0.561 8.941 8.380 -0.000 0.000 0.504 226 V N -2.053 117.449 119.914 -0.687 0.000 2.568 226 V HA -0.237 3.868 4.120 -0.025 0.000 0.253 226 V C 1.520 177.400 176.094 -0.358 0.000 1.072 226 V CA 1.919 63.655 62.300 -0.939 0.000 1.084 226 V CB -1.355 29.976 31.823 -0.820 0.000 0.676 226 V HN 0.798 8.988 8.190 -0.000 0.000 0.469 227 E N 2.516 122.593 120.200 -0.205 0.000 2.072 227 E HA -0.211 4.124 4.350 -0.025 0.000 0.190 227 E C 2.144 178.726 176.600 -0.030 0.000 0.982 227 E CA 1.440 57.784 56.400 -0.092 0.000 0.803 227 E CB -0.394 29.265 29.700 -0.068 0.000 0.755 227 E HN 0.908 9.268 8.360 -0.000 0.000 0.453 228 E N 0.998 121.193 120.200 -0.008 0.000 2.307 228 E HA 0.042 4.377 4.350 -0.025 0.000 0.195 228 E C 0.112 176.774 176.600 0.104 0.000 0.975 228 E CA 0.374 56.800 56.400 0.042 0.000 0.878 228 E CB 0.217 29.941 29.700 0.041 0.000 0.845 228 E HN -0.083 8.277 8.360 -0.000 0.000 0.488 229 T N 2.202 116.859 114.554 0.173 0.000 2.771 229 T HA 0.478 4.813 4.350 -0.025 0.000 0.291 229 T C -0.299 174.663 174.700 0.437 0.000 0.954 229 T CA -0.391 61.904 62.100 0.325 0.000 1.045 229 T CB 1.120 70.277 68.868 0.481 0.000 0.917 229 T HN 0.088 8.328 8.240 -0.000 0.000 0.484 230 L N 4.040 125.431 121.223 0.281 0.000 2.301 230 L HA 0.544 4.869 4.340 -0.025 0.000 0.264 230 L C -2.366 174.279 176.870 -0.376 0.000 1.016 230 L CA -3.066 51.809 54.840 0.059 0.000 0.821 230 L CB 1.894 43.937 42.059 -0.028 0.000 1.346 230 L HN 0.322 8.552 8.230 -0.000 0.000 0.429 231 P HA -0.036 4.384 4.420 -0.000 0.000 0.268 231 P C -0.883 176.014 177.300 -0.672 0.000 1.208 231 P CA -0.194 62.100 63.100 -1.344 0.000 0.777 231 P CB 0.311 30.829 31.700 -1.969 0.000 0.875 232 N N 3.652 122.131 118.700 -0.369 0.000 2.452 232 N HA 0.008 4.733 4.740 -0.025 0.000 0.266 232 N C -1.294 174.260 175.510 0.073 0.000 1.209 232 N CA -1.494 51.531 53.050 -0.042 0.000 0.929 232 N CB 0.405 38.951 38.487 0.098 0.000 1.063 232 N HN 0.260 8.640 8.380 -0.000 0.000 0.472 233 P HA -0.119 4.301 4.420 -0.000 0.000 0.222 233 P C 0.589 177.855 177.300 -0.057 0.000 1.147 233 P CA 1.223 64.343 63.100 0.033 0.000 0.790 233 P CB 0.135 31.769 31.700 -0.110 0.000 0.780 234 H N -0.459 118.679 119.070 0.112 0.000 2.546 234 H HA 0.137 4.678 4.556 -0.025 0.000 0.277 234 H C 1.606 176.998 175.328 0.105 0.000 1.004 234 H CA 0.725 56.827 56.048 0.090 0.000 1.231 234 H CB -0.047 29.761 29.762 0.077 0.000 1.382 234 H HN 0.252 8.532 8.280 -0.000 0.000 0.580 235 L N 0.641 122.014 121.223 0.249 0.000 2.769 235 L HA 0.168 4.493 4.340 -0.025 0.000 0.240 235 L C 1.062 178.093 176.870 0.268 0.000 1.163 235 L CA -0.148 54.851 54.840 0.264 0.000 0.962 235 L CB 0.388 42.589 42.059 0.235 0.000 1.258 235 L HN -0.074 8.156 8.230 -0.000 0.000 0.513 236 R N 1.997 122.562 120.500 0.108 0.000 2.491 236 R HA 0.148 4.473 4.340 -0.025 0.000 0.283 236 R C -0.211 175.983 176.300 -0.177 0.000 1.072 236 R CA -0.184 55.740 56.100 -0.292 0.000 1.048 236 R CB 0.653 30.762 30.300 -0.317 0.000 0.983 236 R HN 0.063 8.333 8.270 -0.000 0.000 0.450 237 K N 2.809 123.007 120.400 -0.337 0.000 2.297 237 K HA 0.082 4.387 4.320 -0.025 0.000 0.286 237 K C -0.852 175.639 176.600 -0.182 0.000 1.053 237 K CA -0.222 55.913 56.287 -0.254 0.000 0.940 237 K CB 0.870 33.122 32.500 -0.412 0.000 1.019 237 K HN 0.453 8.703 8.250 -0.000 0.000 0.475 238 D N 2.181 122.525 120.400 -0.093 0.000 2.736 238 D HA 0.116 4.741 4.640 -0.025 0.000 0.243 238 D C 0.208 176.483 176.300 -0.042 0.000 1.304 238 D CA -0.535 53.422 54.000 -0.071 0.000 0.934 238 D CB 1.237 42.006 40.800 -0.051 0.000 1.382 238 D HN 0.284 8.654 8.370 -0.000 0.000 0.571 239 K N 1.535 121.906 120.400 -0.047 0.000 2.286 239 K HA -0.121 4.184 4.320 -0.025 0.000 0.203 239 K C 0.833 177.423 176.600 -0.016 0.000 1.045 239 K CA 0.948 57.217 56.287 -0.031 0.000 0.935 239 K CB 0.134 32.613 32.500 -0.034 0.000 0.737 239 K HN 0.345 8.595 8.250 -0.000 0.000 0.460 240 N N 0.096 118.786 118.700 -0.015 0.000 2.325 240 N HA 0.016 4.740 4.740 -0.025 0.000 0.182 240 N C 0.011 175.522 175.510 0.001 0.000 1.088 240 N CA 0.196 53.242 53.050 -0.007 0.000 0.879 240 N CB 0.533 39.014 38.487 -0.010 0.000 0.983 240 N HN -0.060 8.320 8.380 -0.000 0.000 0.471 241 S N 0.644 116.347 115.700 0.005 0.000 2.592 241 S HA 0.211 4.666 4.470 -0.025 0.000 0.271 241 S C 0.427 175.044 174.600 0.028 0.000 1.326 241 S CA -0.284 57.928 58.200 0.019 0.000 1.024 241 S CB 1.103 64.321 63.200 0.030 0.000 0.921 241 S HN 0.102 8.412 8.310 -0.000 0.000 0.527 242 T N 4.540 119.110 114.554 0.027 0.000 2.901 242 T HA 0.241 4.576 4.350 -0.025 0.000 0.301 242 T C -2.172 172.551 174.700 0.038 0.000 1.012 242 T CA -0.803 61.312 62.100 0.026 0.000 1.135 242 T CB -0.058 68.819 68.868 0.016 0.000 0.936 242 T HN 0.356 8.596 8.240 -0.000 0.000 0.539 243 P HA 0.152 4.572 4.420 -0.000 0.000 0.267 243 P C -0.271 177.009 177.300 -0.033 0.000 1.200 243 P CA -0.260 62.889 63.100 0.081 0.000 0.772 243 P CB 0.381 32.141 31.700 0.099 0.000 0.855 244 L N 2.187 123.257 121.223 -0.254 0.000 2.417 244 L HA 0.267 4.591 4.340 -0.025 0.000 0.268 244 L C 1.129 177.976 176.870 -0.039 0.000 1.158 244 L CA -0.569 54.108 54.840 -0.271 0.000 0.819 244 L CB 0.355 42.053 42.059 -0.602 0.000 1.112 244 L HN 0.419 8.649 8.230 -0.000 0.000 0.458 245 K N 2.398 122.799 120.400 0.001 0.000 2.172 245 K HA 0.447 4.752 4.320 -0.025 0.000 0.276 245 K C -0.820 175.707 176.600 -0.122 0.000 1.013 245 K CA -0.751 55.535 56.287 -0.002 0.000 0.913 245 K CB 1.473 33.946 32.500 -0.046 0.000 1.055 245 K HN 0.257 8.507 8.250 -0.000 0.000 0.461 246 L N 3.687 124.795 121.223 -0.192 0.000 2.290 246 L HA 0.228 4.553 4.340 -0.025 0.000 0.284 246 L C 0.058 176.705 176.870 -0.373 0.000 1.078 246 L CA 0.201 54.750 54.840 -0.485 0.000 0.815 246 L CB 0.639 42.509 42.059 -0.315 0.000 1.162 246 L HN 0.819 9.049 8.230 -0.000 0.000 0.435 247 N N 3.692 122.011 118.700 -0.636 0.000 2.353 247 N HA 0.054 4.779 4.740 -0.025 0.000 0.185 247 N C -0.160 174.871 175.510 -0.798 0.000 1.098 247 N CA 0.688 53.242 53.050 -0.827 0.000 0.872 247 N CB 0.293 38.056 38.487 -1.207 0.000 0.970 247 N HN 0.585 8.965 8.380 -0.000 0.000 0.467 248 F N 0.137 120.093 119.950 0.010 0.000 2.791 248 F HA 0.299 4.811 4.527 -0.025 0.000 0.316 248 F C 1.754 177.592 175.800 0.064 0.000 1.134 248 F CA -0.832 57.209 58.000 0.068 0.000 1.222 248 F CB -0.053 38.973 39.000 0.043 0.000 1.034 248 F HN -0.073 8.227 8.300 -0.000 0.000 0.516 249 E N 0.640 120.928 120.200 0.147 0.000 2.058 249 E HA -0.287 4.047 4.350 -0.025 0.000 0.194 249 E C 1.996 178.690 176.600 0.157 0.000 0.997 249 E CA 2.239 58.714 56.400 0.126 0.000 0.801 249 E CB -0.198 29.558 29.700 0.094 0.000 0.746 249 E HN 0.546 8.906 8.360 -0.000 0.000 0.450 250 W N 1.372 122.708 121.300 0.061 0.000 2.333 250 W HA -0.221 4.423 4.660 -0.027 0.000 0.316 250 W C 2.050 178.637 176.519 0.113 0.000 1.215 250 W CA 2.231 59.616 57.345 0.068 0.000 1.278 250 W CB -0.081 29.409 29.460 0.050 0.000 1.154 250 W HN 0.155 8.335 8.180 -0.000 0.000 0.486 251 E N 0.181 120.660 120.200 0.465 0.000 2.085 251 E HA -0.232 4.103 4.350 -0.025 0.000 0.194 251 E C 2.031 178.668 176.600 0.062 0.000 0.994 251 E CA 2.211 58.859 56.400 0.415 0.000 0.801 251 E CB -0.610 29.409 29.700 0.531 0.000 0.743 251 E HN 0.361 8.721 8.360 -0.000 0.000 0.453 252 I N 0.819 121.396 120.570 0.012 0.000 2.142 252 I HA -0.286 3.869 4.170 -0.025 0.000 0.240 252 I C 2.161 178.172 176.117 -0.175 0.000 1.078 252 I CA 1.403 62.641 61.300 -0.103 0.000 1.343 252 I CB -0.299 37.651 38.000 -0.083 0.000 1.046 252 I HN 0.107 8.317 8.210 -0.000 0.000 0.405 253 E N 0.707 120.789 120.200 -0.197 0.000 2.110 253 E HA -0.202 4.133 4.350 -0.025 0.000 0.193 253 E C 0.900 177.268 176.600 -0.385 0.000 0.988 253 E CA 1.315 57.561 56.400 -0.256 0.000 0.804 253 E CB -0.138 29.421 29.700 -0.235 0.000 0.745 253 E HN 0.530 8.890 8.360 -0.000 0.000 0.458 254 N N 0.421 118.766 118.700 -0.591 0.000 2.273 254 N HA 0.033 4.758 4.740 -0.025 0.000 0.231 254 N C -0.683 174.511 175.510 -0.526 0.000 1.134 254 N CA -0.231 52.413 53.050 -0.675 0.000 0.856 254 N CB 0.399 38.056 38.487 -1.384 0.000 1.068 254 N HN 0.101 8.481 8.380 -0.000 0.000 0.510 255 R N 0.116 120.333 120.500 -0.472 0.000 2.698 255 R HA -0.044 4.281 4.340 -0.025 0.000 0.266 255 R C -0.509 175.419 176.300 -0.621 0.000 1.026 255 R CA -0.326 55.408 56.100 -0.610 0.000 1.102 255 R CB 0.116 30.180 30.300 -0.393 0.000 0.978 255 R HN 0.143 8.413 8.270 -0.000 0.000 0.436 256 Y N 2.751 122.502 120.300 -0.916 0.000 2.804 256 Y HA -0.074 4.461 4.550 -0.025 0.000 0.338 256 Y C -0.025 175.551 175.900 -0.540 0.000 1.252 256 Y CA 0.784 58.525 58.100 -0.598 0.000 1.576 256 Y CB 0.383 38.575 38.460 -0.447 0.000 1.223 256 Y HN 0.508 8.788 8.280 -0.000 0.000 0.536 257 K N 5.229 125.178 120.400 -0.752 0.000 2.258 257 K HA 0.155 4.460 4.320 -0.025 0.000 0.264 257 K C -0.701 175.587 176.600 -0.520 0.000 1.007 257 K CA -0.146 55.795 56.287 -0.576 0.000 0.941 257 K CB 0.523 32.783 32.500 -0.400 0.000 0.966 257 K HN 0.739 8.989 8.250 -0.000 0.000 0.480 258 H N -0.041 118.931 119.070 -0.164 0.000 2.651 258 H HA 0.171 4.711 4.556 -0.026 0.000 0.353 258 H C -0.077 175.205 175.328 -0.077 0.000 1.178 258 H CA -1.100 54.900 56.048 -0.079 0.000 1.224 258 H CB 1.537 31.282 29.762 -0.029 0.000 1.702 258 H HN 0.681 8.961 8.280 -0.000 0.000 0.550 259 N N -0.494 118.272 118.700 0.110 0.000 2.938 259 N HA 0.072 4.797 4.740 -0.025 0.000 0.335 259 N C 0.541 176.063 175.510 0.021 0.000 1.358 259 N CA -0.642 52.429 53.050 0.036 0.000 0.812 259 N CB 0.428 38.927 38.487 0.019 0.000 1.233 259 N HN 0.459 8.839 8.380 -0.000 0.000 0.593 260 E N -0.434 119.768 120.200 0.003 0.000 2.106 260 E HA -0.041 4.294 4.350 -0.025 0.000 0.192 260 E C 1.794 178.379 176.600 -0.025 0.000 0.984 260 E CA 0.757 57.151 56.400 -0.010 0.000 0.806 260 E CB -0.439 29.255 29.700 -0.009 0.000 0.750 260 E HN 0.403 8.763 8.360 -0.000 0.000 0.458 261 V N 1.366 121.267 119.914 -0.022 0.000 2.358 261 V HA -0.189 3.916 4.120 -0.025 0.000 0.246 261 V C 2.419 178.470 176.094 -0.072 0.000 1.047 261 V CA 2.222 64.500 62.300 -0.036 0.000 1.035 261 V CB -0.799 31.011 31.823 -0.021 0.000 0.658 261 V HN 0.406 8.596 8.190 -0.000 0.000 0.452 262 T N -1.961 112.541 114.554 -0.086 0.000 3.069 262 T HA 0.114 4.449 4.350 -0.025 0.000 0.252 262 T C 0.795 175.224 174.700 -0.451 0.000 1.053 262 T CA -0.274 61.700 62.100 -0.210 0.000 0.964 262 T CB -0.203 68.600 68.868 -0.108 0.000 1.005 262 T HN 0.613 8.853 8.240 -0.000 0.000 0.532 263 K N 1.649 121.917 120.400 -0.219 0.000 2.436 263 K HA 0.498 4.803 4.320 -0.025 0.000 0.275 263 K C -0.368 176.128 176.600 -0.173 0.000 0.999 263 K CA -0.322 55.880 56.287 -0.143 0.000 0.980 263 K CB 0.476 32.964 32.500 -0.020 0.000 0.919 263 K HN 0.210 8.460 8.250 -0.000 0.000 0.484 264 A N 2.670 125.437 122.820 -0.089 0.000 2.430 264 A HA 0.433 4.738 4.320 -0.025 0.000 0.300 264 A C -1.188 176.399 177.584 0.005 0.000 1.124 264 A CA -0.836 51.166 52.037 -0.060 0.000 0.766 264 A CB 1.514 20.483 19.000 -0.051 0.000 1.328 264 A HN 0.870 9.020 8.150 -0.000 0.000 0.424 265 E N 0.277 120.478 120.200 0.001 0.000 2.244 265 E HA 0.517 4.852 4.350 -0.025 0.000 0.266 265 E C -2.568 174.060 176.600 0.047 0.000 0.914 265 E CA -1.993 54.421 56.400 0.023 0.000 0.794 265 E CB 1.472 31.178 29.700 0.011 0.000 1.210 265 E HN 0.386 8.746 8.360 -0.000 0.000 0.414 266 P HA 0.192 4.612 4.420 -0.000 0.000 0.271 266 P C -0.869 176.478 177.300 0.079 0.000 1.233 266 P CA 0.401 63.553 63.100 0.085 0.000 0.764 266 P CB 0.139 31.889 31.700 0.084 0.000 0.825 267 I N 6.304 126.932 120.570 0.097 0.000 2.410 267 I HA 0.344 4.498 4.170 -0.025 0.000 0.286 267 I C -1.867 174.318 176.117 0.113 0.000 1.009 267 I CA -2.087 59.263 61.300 0.084 0.000 1.111 267 I CB 2.064 40.096 38.000 0.054 0.000 1.262 267 I HN 0.276 8.486 8.210 -0.000 0.000 0.443 268 P HA 0.385 4.805 4.420 -0.000 0.000 0.332 268 P C -0.408 176.939 177.300 0.079 0.000 1.298 268 P CA -0.644 62.518 63.100 0.104 0.000 0.755 268 P CB 1.075 32.832 31.700 0.095 0.000 1.465 269 I N -0.271 120.333 120.570 0.055 0.000 2.575 269 I HA 0.362 4.517 4.170 -0.025 0.000 0.285 269 I C 0.185 176.288 176.117 -0.024 0.000 1.085 269 I CA -0.677 60.610 61.300 -0.021 0.000 1.403 269 I CB 0.798 38.719 38.000 -0.132 0.000 1.409 269 I HN 0.376 8.586 8.210 -0.000 0.000 0.557 270 A N 5.431 128.236 122.820 -0.026 0.000 2.483 270 A HA 0.053 4.358 4.320 -0.025 0.000 0.238 270 A C 0.850 178.419 177.584 -0.024 0.000 1.070 270 A CA -0.146 51.887 52.037 -0.008 0.000 0.770 270 A CB 0.123 19.128 19.000 0.010 0.000 1.008 270 A HN 0.882 9.032 8.150 -0.000 0.000 0.497 271 D N 0.789 121.184 120.400 -0.009 0.000 2.123 271 D HA -0.192 4.433 4.640 -0.025 0.000 0.196 271 D C 1.943 178.235 176.300 -0.012 0.000 0.992 271 D CA 1.955 55.949 54.000 -0.010 0.000 0.833 271 D CB -0.122 40.680 40.800 0.002 0.000 0.954 271 D HN 0.898 9.268 8.370 -0.000 0.000 0.455 272 E N 0.588 120.786 120.200 -0.005 0.000 2.204 272 E HA -0.169 4.166 4.350 -0.025 0.000 0.194 272 E C 0.971 177.573 176.600 0.002 0.000 0.989 272 E CA 0.949 57.348 56.400 -0.001 0.000 0.824 272 E CB -0.084 29.616 29.700 -0.000 0.000 0.756 272 E HN 0.144 8.504 8.360 -0.000 0.000 0.477 273 D N 1.097 121.496 120.400 -0.001 0.000 2.162 273 D HA -0.079 4.545 4.640 -0.025 0.000 0.203 273 D C 2.072 178.335 176.300 -0.061 0.000 0.967 273 D CA 0.500 54.502 54.000 0.003 0.000 0.840 273 D CB -0.184 40.614 40.800 -0.004 0.000 0.972 273 D HN 0.166 8.536 8.370 -0.000 0.000 0.482 274 L N 0.768 121.922 121.223 -0.116 0.000 2.042 274 L HA -0.173 4.152 4.340 -0.025 0.000 0.210 274 L C 2.264 179.109 176.870 -0.041 0.000 1.076 274 L CA 1.236 55.993 54.840 -0.138 0.000 0.749 274 L CB -0.328 41.668 42.059 -0.106 0.000 0.893 274 L HN -0.152 8.078 8.230 -0.000 0.000 0.432 275 V N -0.138 119.768 119.914 -0.014 0.000 2.252 275 V HA -0.383 3.721 4.120 -0.025 0.000 0.249 275 V C 2.625 178.726 176.094 0.012 0.000 1.056 275 V CA 2.372 64.677 62.300 0.008 0.000 1.022 275 V CB -0.627 31.200 31.823 0.008 0.000 0.641 275 V HN 0.482 8.672 8.190 -0.000 0.000 0.445 276 K N -0.691 119.721 120.400 0.020 0.000 2.097 276 K HA -0.108 4.197 4.320 -0.025 0.000 0.206 276 K C 1.982 178.611 176.600 0.048 0.000 1.049 276 K CA 1.489 57.799 56.287 0.037 0.000 0.933 276 K CB -0.267 32.275 32.500 0.071 0.000 0.717 276 K HN 0.404 8.654 8.250 -0.000 0.000 0.442 277 I N 1.103 121.707 120.570 0.056 0.000 2.315 277 I HA -0.233 3.922 4.170 -0.025 0.000 0.248 277 I C 1.990 178.152 176.117 0.075 0.000 1.117 277 I CA 1.295 62.641 61.300 0.076 0.000 1.404 277 I CB -0.064 37.973 38.000 0.063 0.000 1.071 277 I HN 0.165 8.375 8.210 -0.000 0.000 0.419 278 E N 0.622 120.858 120.200 0.058 0.000 2.072 278 E HA -0.196 4.139 4.350 -0.025 0.000 0.191 278 E C 1.736 178.332 176.600 -0.008 0.000 0.985 278 E CA 1.057 57.502 56.400 0.075 0.000 0.801 278 E CB -0.175 29.576 29.700 0.084 0.000 0.750 278 E HN 0.427 8.787 8.360 -0.000 0.000 0.452 279 N N 0.871 119.523 118.700 -0.079 0.000 2.334 279 N HA -0.164 4.561 4.740 -0.025 0.000 0.187 279 N C 1.632 176.832 175.510 -0.517 0.000 1.016 279 N CA 0.807 53.702 53.050 -0.259 0.000 0.879 279 N CB -0.171 38.244 38.487 -0.121 0.000 0.965 279 N HN 0.218 8.598 8.380 -0.000 0.000 0.438 280 L N -0.332 120.739 121.223 -0.254 0.000 2.217 280 L HA -0.068 4.257 4.340 -0.025 0.000 0.211 280 L C 0.017 176.809 176.870 -0.130 0.000 1.107 280 L CA 0.514 55.266 54.840 -0.146 0.000 0.783 280 L CB -0.598 41.489 42.059 0.045 0.000 0.919 280 L HN 0.292 8.522 8.230 -0.000 0.000 0.442 281 H N 0.152 119.248 119.070 0.043 0.000 2.690 281 H HA -0.140 4.401 4.556 -0.025 0.000 0.309 281 H C -0.185 175.130 175.328 -0.021 0.000 1.138 281 H CA 0.662 56.717 56.048 0.011 0.000 1.142 281 H CB -1.878 27.885 29.762 0.002 0.000 1.410 281 H HN 0.433 8.713 8.280 -0.000 0.000 0.409 282 E N 0.266 120.503 120.200 0.061 0.000 2.356 282 E HA 0.420 4.755 4.350 -0.025 0.000 0.275 282 E C -0.456 176.047 176.600 -0.162 0.000 0.904 282 E CA -0.711 55.623 56.400 -0.111 0.000 0.757 282 E CB 2.737 32.323 29.700 -0.190 0.000 1.232 282 E HN 0.169 8.529 8.360 -0.000 0.000 0.442 283 D N 0.323 120.511 120.400 -0.353 0.000 2.269 283 D HA 0.494 5.119 4.640 -0.025 0.000 0.244 283 D C -1.399 174.570 176.300 -0.552 0.000 0.992 283 D CA -0.259 53.573 54.000 -0.281 0.000 0.894 283 D CB 0.858 41.525 40.800 -0.221 0.000 1.248 283 D HN 0.234 8.604 8.370 -0.000 0.000 0.468 284 Y N 0.874 121.043 120.300 -0.218 0.000 2.512 284 Y HA 0.371 4.905 4.550 -0.025 0.000 0.348 284 Y C -0.454 175.247 175.900 -0.333 0.000 0.990 284 Y CA -1.097 56.867 58.100 -0.227 0.000 1.033 284 Y CB 1.162 39.517 38.460 -0.175 0.000 1.259 284 Y HN 0.281 8.561 8.280 -0.000 0.000 0.461 285 Y N 3.616 123.800 120.300 -0.193 0.000 2.480 285 Y HA 0.116 4.651 4.550 -0.025 0.000 0.338 285 Y C -1.844 173.822 175.900 -0.391 0.000 1.220 285 Y CA -1.495 56.344 58.100 -0.434 0.000 1.430 285 Y CB -0.009 38.042 38.460 -0.682 0.000 1.311 285 Y HN 0.301 8.581 8.280 -0.000 0.000 0.575 286 P HA -0.026 4.394 4.420 -0.000 0.000 0.270 286 P C 0.717 177.583 177.300 -0.724 0.000 1.223 286 P CA 0.258 62.907 63.100 -0.751 0.000 0.785 286 P CB 0.729 31.522 31.700 -1.511 0.000 0.923 287 G N 1.221 109.652 108.800 -0.614 0.000 2.550 287 G HA2 -0.260 3.685 3.960 -0.025 0.000 0.222 287 G HA3 -0.260 3.685 3.960 -0.025 0.000 0.222 287 G C 0.934 175.462 174.900 -0.620 0.000 1.113 287 G CA 0.741 45.669 45.100 -0.288 0.000 0.748 287 G HN 0.724 9.014 8.290 -0.000 0.000 0.585 288 W N -1.306 119.386 121.300 -1.014 0.000 2.961 288 W HA 0.352 4.997 4.660 -0.024 0.000 0.240 288 W C 1.174 177.472 176.519 -0.370 0.000 1.305 288 W CA -0.498 55.972 57.345 -1.458 0.000 1.465 288 W CB -0.574 28.121 29.460 -1.275 0.000 1.135 288 W HN 0.108 8.288 8.180 -0.000 0.000 0.688 289 Y N 0.891 121.030 120.300 -0.268 0.000 2.529 289 Y HA 0.182 4.717 4.550 -0.025 0.000 0.290 289 Y C 0.754 176.654 175.900 0.000 0.000 1.177 289 Y CA -0.113 57.932 58.100 -0.091 0.000 1.305 289 Y CB -0.296 38.031 38.460 -0.223 0.000 1.047 289 Y HN -0.071 8.209 8.280 -0.000 0.000 0.522 290 L N 0.342 121.683 121.223 0.197 0.000 2.265 290 L HA 0.319 4.644 4.340 -0.025 0.000 0.289 290 L C 0.683 177.798 176.870 0.408 0.000 1.033 290 L CA -0.297 54.701 54.840 0.264 0.000 0.814 290 L CB 1.055 43.276 42.059 0.269 0.000 1.203 290 L HN 0.037 8.267 8.230 -0.000 0.000 0.423 291 V N -0.154 119.939 119.914 0.298 0.000 3.556 291 V HA 0.342 4.446 4.120 -0.025 0.000 0.287 291 V C 0.334 176.543 176.094 0.193 0.000 1.422 291 V CA -0.069 62.424 62.300 0.322 0.000 1.038 291 V CB 0.345 32.340 31.823 0.286 0.000 0.850 291 V HN 0.725 8.915 8.190 -0.000 0.000 0.437 292 D N 1.674 122.153 120.400 0.132 0.000 2.365 292 D HA 0.177 4.802 4.640 -0.025 0.000 0.237 292 D C 0.675 177.018 176.300 0.071 0.000 1.190 292 D CA 0.181 54.222 54.000 0.070 0.000 0.867 292 D CB 1.230 42.038 40.800 0.012 0.000 1.050 292 D HN 0.307 8.677 8.370 -0.000 0.000 0.491 293 D N 2.434 122.875 120.400 0.068 0.000 2.190 293 D HA -0.175 4.450 4.640 -0.025 0.000 0.200 293 D C 1.530 177.853 176.300 0.037 0.000 0.992 293 D CA 1.245 55.279 54.000 0.056 0.000 0.854 293 D CB 0.302 41.128 40.800 0.043 0.000 0.936 293 D HN 0.456 8.826 8.370 -0.000 0.000 0.462 294 K N -0.117 120.293 120.400 0.017 0.000 2.280 294 K HA -0.024 4.281 4.320 -0.025 0.000 0.202 294 K C 1.401 178.003 176.600 0.004 0.000 1.047 294 K CA 0.631 56.919 56.287 0.003 0.000 0.942 294 K CB 0.074 32.567 32.500 -0.011 0.000 0.739 294 K HN 0.265 8.515 8.250 -0.000 0.000 0.457 295 L N 0.203 121.423 121.223 -0.005 0.000 2.607 295 L HA 0.095 4.420 4.340 -0.025 0.000 0.228 295 L C 2.061 178.987 176.870 0.093 0.000 1.123 295 L CA 0.014 54.851 54.840 -0.005 0.000 0.890 295 L CB -0.146 41.799 42.059 -0.190 0.000 1.103 295 L HN 0.182 8.412 8.230 -0.000 0.000 0.468 296 E N 1.758 122.016 120.200 0.097 0.000 2.171 296 E HA -0.218 4.117 4.350 -0.025 0.000 0.197 296 E C 1.486 178.175 176.600 0.149 0.000 0.997 296 E CA 1.362 57.844 56.400 0.136 0.000 0.810 296 E CB 0.228 29.994 29.700 0.109 0.000 0.738 296 E HN 0.443 8.803 8.360 -0.000 0.000 0.467 297 R N -1.005 119.569 120.500 0.124 0.000 2.613 297 R HA 0.302 4.627 4.340 -0.025 0.000 0.361 297 R C 1.299 177.673 176.300 0.124 0.000 1.072 297 R CA 0.331 56.506 56.100 0.125 0.000 1.089 297 R CB 0.893 31.253 30.300 0.100 0.000 1.343 297 R HN 0.066 8.336 8.270 -0.000 0.000 0.571 298 A N 0.935 123.846 122.820 0.151 0.000 2.019 298 A HA -0.029 4.276 4.320 -0.025 0.000 0.219 298 A C 1.518 179.168 177.584 0.110 0.000 1.164 298 A CA 1.219 53.354 52.037 0.163 0.000 0.644 298 A CB -0.205 18.978 19.000 0.305 0.000 0.805 298 A HN 0.336 8.486 8.150 -0.000 0.000 0.449 299 G N 0.660 109.521 108.800 0.102 0.000 3.064 299 G HA2 0.464 4.409 3.960 -0.025 0.000 0.286 299 G HA3 0.464 4.409 3.960 -0.025 0.000 0.286 299 G C -0.091 174.860 174.900 0.084 0.000 0.834 299 G CA -0.466 44.666 45.100 0.053 0.000 1.856 299 G HN 0.184 8.474 8.290 -0.000 0.000 0.559 300 R N 1.536 122.080 120.500 0.073 0.000 2.673 300 R HA 0.309 4.633 4.340 -0.025 0.000 0.281 300 R C -0.288 176.046 176.300 0.056 0.000 0.991 300 R CA -1.031 55.115 56.100 0.078 0.000 0.896 300 R CB 1.856 32.203 30.300 0.078 0.000 1.201 300 R HN 0.183 8.453 8.270 -0.000 0.000 0.457 301 I N 2.162 122.764 120.570 0.054 0.000 2.710 301 I HA -0.003 4.152 4.170 -0.025 0.000 0.286 301 I C 1.066 177.203 176.117 0.034 0.000 1.181 301 I CA 0.289 61.612 61.300 0.038 0.000 1.430 301 I CB 0.084 38.103 38.000 0.032 0.000 1.367 301 I HN 0.256 8.466 8.210 -0.000 0.000 0.577 302 K N 6.097 126.513 120.400 0.028 0.000 2.368 302 K HA 0.168 4.473 4.320 -0.025 0.000 0.282 302 K C -0.490 176.124 176.600 0.023 0.000 1.035 302 K CA -0.231 56.072 56.287 0.026 0.000 0.973 302 K CB 0.605 33.119 32.500 0.022 0.000 0.957 302 K HN 0.404 8.654 8.250 -0.000 0.000 0.474 303 K N 3.239 123.654 120.400 0.025 0.000 2.469 303 K HA 0.338 4.643 4.320 -0.025 0.000 0.254 303 K C -0.775 175.839 176.600 0.023 0.000 0.939 303 K CA -0.852 55.449 56.287 0.022 0.000 0.812 303 K CB 2.157 34.672 32.500 0.024 0.000 1.301 303 K HN 0.449 8.699 8.250 -0.000 0.000 0.433 304 K N 0.000 120.412 120.400 0.019 0.000 2.780 304 K HA 0.000 4.305 4.320 -0.025 0.000 0.191 304 K CA 0.000 56.299 56.287 0.019 0.000 0.838 304 K CB 0.000 32.510 32.500 0.016 0.000 1.064 304 K HN 0.000 8.250 8.250 -0.000 0.000 0.543